N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
type: datablock
datablock name: 2QN
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

2QN
type: chem comp
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
chem comp.id: 2QN
chem comp.formula: C22 H25 I N4 O6
chem comp.formula weight: 568.362
chem comp.name: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2014-01-09
chem comp.pdbx model coordinates db code: 4OC4
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2014-05-16
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 2QN
chem comp.type: non-polymer

CAN,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAN
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAN
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.296
chem comp atom.model cartn y: 50.744
chem comp atom.model cartn z: 46.656
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAN
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.609
chem comp atom.pdbx model cartn y ideal: 1.755
chem comp atom.pdbx model cartn z ideal: 0.478
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAL,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAL
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAL
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.451
chem comp atom.model cartn y: 50.939
chem comp atom.model cartn z: 48.046
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAL
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.927
chem comp atom.pdbx model cartn y ideal: 1.501
chem comp atom.pdbx model cartn z ideal: 0.163
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CBC,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CBC
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CBC
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.509
chem comp atom.model cartn y: 49.901
chem comp atom.model cartn z: 48.986
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CBC
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.319
chem comp atom.pdbx model cartn y ideal: 0.228
chem comp atom.pdbx model cartn z ideal: -0.216
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

IAG,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: IAG
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: IAG
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.695
chem comp atom.model cartn y: 50.183
chem comp atom.model cartn z: 51.183
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: IAG
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -9.324
chem comp atom.pdbx model cartn y ideal: -0.148
chem comp atom.pdbx model cartn z ideal: -0.693
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: I

CAM,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAM
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAM
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.448
chem comp atom.model cartn y: 48.622
chem comp atom.model cartn z: 48.408
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAM
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.391
chem comp atom.pdbx model cartn y ideal: -0.797
chem comp atom.pdbx model cartn z ideal: -0.282
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAO,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAO
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAO
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.319
chem comp atom.model cartn y: 48.394
chem comp atom.model cartn z: 47.017
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAO
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.069
chem comp atom.pdbx model cartn y ideal: -0.556
chem comp atom.pdbx model cartn z ideal: 0.030
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CBE,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CBE
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CBE
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.259
chem comp atom.model cartn y: 49.449
chem comp atom.model cartn z: 46.111
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CBE
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.667
chem comp atom.pdbx model cartn y ideal: 0.726
chem comp atom.pdbx model cartn z ideal: 0.408
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CBB,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CBB
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CBB
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.047
chem comp atom.model cartn y: 49.224
chem comp atom.model cartn z: 44.588
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CBB
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.252
chem comp atom.pdbx model cartn y ideal: 0.992
chem comp atom.pdbx model cartn z ideal: 0.743
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAD,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: OAD
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: OAD
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.267
chem comp atom.model cartn y: 49.966
chem comp atom.model cartn z: 43.981
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAD
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.906
chem comp atom.pdbx model cartn y ideal: 2.107
chem comp atom.pdbx model cartn z ideal: 1.081
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

NAV,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: NAV
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: NAV
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.568
chem comp atom.model cartn y: 48.140
chem comp atom.model cartn z: 44.041
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: NAV
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.345
chem comp atom.pdbx model cartn y ideal: -0.003
chem comp atom.pdbx model cartn z ideal: 0.675
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

CAR,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAR
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAR
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.340
chem comp atom.model cartn y: 47.782
chem comp atom.model cartn z: 42.643
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAR
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.943
chem comp atom.pdbx model cartn y ideal: 0.260
chem comp atom.pdbx model cartn z ideal: 1.008
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAP,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAP
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAP
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.276
chem comp atom.model cartn y: 46.268
chem comp atom.model cartn z: 42.508
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAP
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.131
chem comp atom.pdbx model cartn y ideal: -1.028
chem comp atom.pdbx model cartn z ideal: 0.850
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAQ,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAQ
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAQ
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.347
chem comp atom.model cartn y: 45.497
chem comp atom.model cartn z: 43.530
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAQ
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.333
chem comp atom.pdbx model cartn y ideal: -0.753
chem comp atom.pdbx model cartn z ideal: 1.197
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CB,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CB
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CB
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.853
chem comp atom.model cartn y: 45.846
chem comp atom.model cartn z: 43.302
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CB
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.145
chem comp atom.pdbx model cartn y ideal: -2.040
chem comp atom.pdbx model cartn z ideal: 1.040
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CA,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CA
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CA
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.919
chem comp atom.model cartn y: 45.124
chem comp atom.model cartn z: 44.314
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CA
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.609
chem comp atom.pdbx model cartn y ideal: -1.766
chem comp atom.pdbx model cartn z ideal: 1.387
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: C
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: C
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.096
chem comp atom.model cartn y: 45.700
chem comp atom.model cartn z: 45.719
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.385
chem comp atom.pdbx model cartn y ideal: -3.057
chem comp atom.pdbx model cartn z ideal: 1.351
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OXT,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: OXT
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: OXT
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.763
chem comp atom.model cartn y: 44.974
chem comp atom.model cartn z: 46.472
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OXT
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.043
chem comp atom.pdbx model cartn y ideal: -4.069
chem comp atom.pdbx model cartn z ideal: 2.165
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: O
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: O
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.598
chem comp atom.model cartn y: 46.824
chem comp atom.model cartn z: 45.968
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.315
chem comp atom.pdbx model cartn y ideal: -3.182
chem comp atom.pdbx model cartn z ideal: 0.590
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: N
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: N
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.570
chem comp atom.model cartn y: 45.436
chem comp atom.model cartn z: 43.859
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.175
chem comp atom.pdbx model cartn y ideal: -0.829
chem comp atom.pdbx model cartn z ideal: 0.413
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

CBA,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CBA
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CBA
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.936
chem comp atom.model cartn y: 44.708
chem comp atom.model cartn z: 42.961
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CBA
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.226
chem comp atom.pdbx model cartn y ideal: -0.057
chem comp atom.pdbx model cartn z ideal: 0.752
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAC,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: OAC
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: OAC
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.402
chem comp atom.model cartn y: 43.630
chem comp atom.model cartn z: 42.512
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAC
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.705
chem comp atom.pdbx model cartn y ideal: -0.138
chem comp atom.pdbx model cartn z ideal: 1.867
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

NAX,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: NAX
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: NAX
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.706
chem comp atom.model cartn y: 45.102
chem comp atom.model cartn z: 42.611
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: NAX
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.747
chem comp atom.pdbx model cartn y ideal: 0.805
chem comp atom.pdbx model cartn z ideal: -0.144
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

CBG,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CBG
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CBG
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.123
chem comp atom.model cartn y: 44.428
chem comp atom.model cartn z: 41.440
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CBG
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.889
chem comp atom.pdbx model cartn y ideal: 1.644
chem comp atom.pdbx model cartn z ideal: 0.225
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

CAZ,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAZ
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAZ
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.056
chem comp atom.model cartn y: 44.690
chem comp atom.model cartn z: 40.220
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAZ
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.396
chem comp atom.pdbx model cartn y ideal: 2.888
chem comp atom.pdbx model cartn z ideal: 0.918
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

OAF,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: OAF
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: OAF
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.963
chem comp atom.model cartn y: 43.910
chem comp atom.model cartn z: 39.229
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAF
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.212
chem comp atom.pdbx model cartn y ideal: 3.056
chem comp atom.pdbx model cartn z ideal: 1.087
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

OAB,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: OAB
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: OAB
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.901
chem comp atom.model cartn y: 45.610
chem comp atom.model cartn z: 40.280
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: OAB
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.273
chem comp atom.pdbx model cartn y ideal: 3.809
chem comp atom.pdbx model cartn z ideal: 1.348
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CAT,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAT
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAT
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.728
chem comp atom.model cartn y: 44.929
chem comp atom.model cartn z: 41.022
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CAT
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.663
chem comp atom.pdbx model cartn y ideal: 2.035
chem comp atom.pdbx model cartn z ideal: -1.036
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CBD,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CBD
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CBD
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.594
chem comp atom.model cartn y: 46.422
chem comp atom.model cartn z: 40.736
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CBD
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.260
chem comp atom.pdbx model cartn y ideal: 0.801
chem comp atom.pdbx model cartn z ideal: -1.662
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAJ,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAJ
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAJ
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.131
chem comp atom.model cartn y: 47.021
chem comp atom.model cartn z: 39.595
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAJ
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.525
chem comp atom.pdbx model cartn y ideal: 0.364
chem comp atom.pdbx model cartn z ideal: -1.302
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAH,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAH
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAH
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.946
chem comp atom.model cartn y: 48.378
chem comp atom.model cartn z: 39.341
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAH
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 10.040
chem comp atom.pdbx model cartn y ideal: -0.772
chem comp atom.pdbx model cartn z ideal: -1.898
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

NAU,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: NAU
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: NAU
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.220
chem comp atom.model cartn y: 49.122
chem comp atom.model cartn z: 40.164
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: NAU
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 9.343
chem comp atom.pdbx model cartn y ideal: -1.436
chem comp atom.pdbx model cartn z ideal: -2.799
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

CAI,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAI
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAI
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.692
chem comp atom.model cartn y: 48.579
chem comp atom.model cartn z: 41.267
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAI
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.137
chem comp atom.pdbx model cartn y ideal: -1.050
chem comp atom.pdbx model cartn z ideal: -3.165
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CAK,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: CAK
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: CAK
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.864
chem comp atom.model cartn y: 47.231
chem comp atom.model cartn z: 41.605
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: CAK
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.554
chem comp atom.pdbx model cartn y ideal: 0.073
chem comp atom.pdbx model cartn z ideal: -2.608
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H1,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.205
chem comp atom.model cartn y: 51.600
chem comp atom.model cartn z: 46.004
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.304
chem comp atom.pdbx model cartn y ideal: 2.748
chem comp atom.pdbx model cartn z ideal: 0.773
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.530
chem comp atom.model cartn y: 51.953
chem comp atom.model cartn z: 48.408
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.656
chem comp atom.pdbx model cartn y ideal: 2.296
chem comp atom.pdbx model cartn z ideal: 0.212
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.503
chem comp atom.model cartn y: 47.764
chem comp atom.model cartn z: 49.062
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.702
chem comp atom.pdbx model cartn y ideal: -1.788
chem comp atom.pdbx model cartn z ideal: -0.579
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.266
chem comp atom.model cartn y: 47.379
chem comp atom.model cartn z: 46.651
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.346
chem comp atom.pdbx model cartn y ideal: -1.357
chem comp atom.pdbx model cartn z ideal: -0.021
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 24.139
chem comp atom.model cartn y: 47.543
chem comp atom.model cartn z: 44.604
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.621
chem comp atom.pdbx model cartn y ideal: -0.893
chem comp atom.pdbx model cartn z ideal: 0.406
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 24.164
chem comp atom.model cartn y: 48.170
chem comp atom.model cartn z: 42.027
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.548
chem comp atom.pdbx model cartn y ideal: 1.023
chem comp atom.pdbx model cartn z ideal: 0.338
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.390
chem comp atom.model cartn y: 48.220
chem comp atom.model cartn z: 42.303
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.873
chem comp atom.pdbx model cartn y ideal: 0.609
chem comp atom.pdbx model cartn z ideal: 2.038
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.916
chem comp atom.model cartn y: 46.040
chem comp atom.model cartn z: 41.494
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.527
chem comp atom.pdbx model cartn y ideal: -1.791
chem comp atom.pdbx model cartn z ideal: 1.520
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 24.298
chem comp atom.model cartn y: 45.880
chem comp atom.model cartn z: 42.630
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.201
chem comp atom.pdbx model cartn y ideal: -1.377
chem comp atom.pdbx model cartn z ideal: -0.180
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.487
chem comp atom.model cartn y: 44.414
chem comp atom.model cartn z: 43.396
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.729
chem comp atom.pdbx model cartn y ideal: 0.010
chem comp atom.pdbx model cartn z ideal: 0.527
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.629
chem comp atom.model cartn y: 45.779
chem comp atom.model cartn z: 44.555
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.403
chem comp atom.pdbx model cartn y ideal: -0.403
chem comp atom.pdbx model cartn z ideal: 2.228
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.722
chem comp atom.model cartn y: 46.933
chem comp atom.model cartn z: 43.413
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.749
chem comp atom.pdbx model cartn y ideal: -2.803
chem comp atom.pdbx model cartn z ideal: 1.710
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.571
chem comp atom.model cartn y: 45.545
chem comp atom.model cartn z: 42.282
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.075
chem comp atom.pdbx model cartn y ideal: -2.390
chem comp atom.pdbx model cartn z ideal: 0.010
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.112
chem comp atom.model cartn y: 44.041
chem comp atom.model cartn z: 44.309
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.671
chem comp atom.pdbx model cartn y ideal: -1.333
chem comp atom.pdbx model cartn z ideal: 2.386
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.859
chem comp atom.model cartn y: 45.397
chem comp atom.model cartn z: 47.317
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.569
chem comp atom.pdbx model cartn y ideal: -4.877
chem comp atom.pdbx model cartn z ideal: 2.106
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.107
chem comp atom.model cartn y: 46.234
chem comp atom.model cartn z: 44.243
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.793
chem comp atom.pdbx model cartn y ideal: -0.765
chem comp atom.pdbx model cartn z ideal: -0.476
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.213
chem comp atom.model cartn y: 45.811
chem comp atom.model cartn z: 43.115
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.365
chem comp atom.pdbx model cartn y ideal: 0.869
chem comp atom.pdbx model cartn z ideal: -1.033
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.074
chem comp atom.model cartn y: 43.344
chem comp atom.model cartn z: 41.620
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.545
chem comp atom.pdbx model cartn y ideal: 1.090
chem comp atom.pdbx model cartn z ideal: 0.896
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.426
chem comp atom.model cartn y: 45.610
chem comp atom.model cartn z: 39.488
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.909
chem comp atom.pdbx model cartn y ideal: 4.590
chem comp atom.pdbx model cartn z ideal: 1.787
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.028
chem comp atom.model cartn y: 44.681
chem comp atom.model cartn z: 41.833
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.985
chem comp atom.pdbx model cartn y ideal: 2.511
chem comp atom.pdbx model cartn z ideal: -1.745
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.439
chem comp atom.model cartn y: 44.387
chem comp atom.model cartn z: 40.109
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.460
chem comp atom.pdbx model cartn y ideal: 2.731
chem comp atom.pdbx model cartn z ideal: -0.772
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.699
chem comp atom.model cartn y: 46.423
chem comp atom.model cartn z: 38.898
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H22
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 10.102
chem comp atom.pdbx model cartn y ideal: 0.905
chem comp atom.pdbx model cartn z ideal: -0.566
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.397
chem comp atom.model cartn y: 48.827
chem comp atom.model cartn z: 38.468
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 11.025
chem comp atom.pdbx model cartn y ideal: -1.119
chem comp atom.pdbx model cartn z ideal: -1.623
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.109
chem comp atom.model cartn y: 49.207
chem comp atom.model cartn z: 41.924
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.596
chem comp atom.pdbx model cartn y ideal: -1.619
chem comp atom.pdbx model cartn z ideal: -3.906
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,2QN
type: chem comp atom
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: 2QN
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.442
chem comp atom.model cartn y: 46.829
chem comp atom.model cartn z: 42.514
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H25
chem comp atom.pdbx component comp id: 2QN
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.564
chem comp atom.pdbx model cartn y ideal: 0.382
chem comp atom.pdbx model cartn z ideal: -2.909
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

OAF,CAZ,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: OAF
chem comp bond.atom id 2: CAZ
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAH,CAJ,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: CAJ
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAH,NAU,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: NAU
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAJ,CBD,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAJ
chem comp bond.atom id 2: CBD
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NAU,CAI,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: NAU
chem comp bond.atom id 2: CAI
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAZ,OAB,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAZ
chem comp bond.atom id 2: OAB
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAZ,CBG,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAZ
chem comp bond.atom id 2: CBG
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBD,CAT,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: CAT
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBD,CAK,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: CAK
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAT,CBG,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAT
chem comp bond.atom id 2: CBG
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAI,CAK,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAI
chem comp bond.atom id 2: CAK
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBG,NAX,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBG
chem comp bond.atom id 2: NAX
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAP,CAR,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAP
chem comp bond.atom id 2: CAR
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAP,CAQ,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAP
chem comp bond.atom id 2: CAQ
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OAC,CBA,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: OAC
chem comp bond.atom id 2: CBA
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

NAX,CBA,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: NAX
chem comp bond.atom id 2: CBA
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAR,NAV,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAR
chem comp bond.atom id 2: NAV
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBA,N,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: N
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CAQ,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CAQ
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CA,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CA
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OAD,CBB,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: OAD
chem comp bond.atom id 2: CBB
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

NAV,CBB,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: NAV
chem comp bond.atom id 2: CBB
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBB,CBE,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: CBE
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBE,CAN,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBE
chem comp bond.atom id 2: CAN
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CBE,CAO,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBE
chem comp bond.atom id 2: CAO
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAN,CAL,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAN
chem comp bond.atom id 2: CAL
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAO,CAM,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAO
chem comp bond.atom id 2: CAM
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAL,CBC,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAL
chem comp bond.atom id 2: CBC
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CAM,CBC,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAM
chem comp bond.atom id 2: CBC
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBC,IAG,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: IAG
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAN,H1,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAN
chem comp bond.atom id 2: H1
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAL,H2,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAL
chem comp bond.atom id 2: H2
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAM,H3,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAM
chem comp bond.atom id 2: H3
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAO,H4,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAO
chem comp bond.atom id 2: H4
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NAV,H5,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: NAV
chem comp bond.atom id 2: H5
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAR,H6,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAR
chem comp bond.atom id 2: H6
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAR,H7,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAR
chem comp bond.atom id 2: H7
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAP,H8,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAP
chem comp bond.atom id 2: H8
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAP,H9,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAP
chem comp bond.atom id 2: H9
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAQ,H10,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAQ
chem comp bond.atom id 2: H10
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAQ,H11,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAQ
chem comp bond.atom id 2: H11
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,H12,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: H12
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,H13,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: H13
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,H14,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: H14
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,H15,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: H15
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H16,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H16
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NAX,H17,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: NAX
chem comp bond.atom id 2: H17
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CBG,H18,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CBG
chem comp bond.atom id 2: H18
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OAB,H19,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: OAB
chem comp bond.atom id 2: H19
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAT,H20,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAT
chem comp bond.atom id 2: H20
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAT,H21,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAT
chem comp bond.atom id 2: H21
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAJ,H22,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAJ
chem comp bond.atom id 2: H22
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAH,H23,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAH
chem comp bond.atom id 2: H23
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAI,H24,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAI
chem comp bond.atom id 2: H24
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CAK,H25,2QN
type: chem comp bond
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/2QN/chem_comp_atom/,
chem comp bond.atom id 1: CAK
chem comp bond.atom id 2: H25
chem comp bond.comp id: 2QN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,2QN,2014-01-09
type: pdbx chem comp audit
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 2QN
pdbx chem comp audit.date: 2014-01-09
pdbx chem comp audit.processing site: RCSB

Initial release,2QN,2014-05-21
type: pdbx chem comp audit
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 2QN
pdbx chem comp audit.date: 2014-05-21
pdbx chem comp audit.processing site: RCSB

2QN,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2QN
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Ic1ccc(cc1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)Cc2ccncc2

2QN,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2QN
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C22H25IN4O6/c23-16-6-4-15(5-7-16)19(28)25-10-2-1-3-17(20(29)30)26-22(33)27-18(21(31)32)13-14-8-11-24-12-9-14/h4-9,11-12,17-18H,1-3,10,13H2,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t17-,18-/m0/s1

2QN,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2QN
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: AHYKHJQLXJPPOS-ROUUACIJSA-N

2QN,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2QN
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc2ccncc2)C(O)=O

2QN,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2QN
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: OC(=O)[CH](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[CH](Cc2ccncc2)C(O)=O

2QN,OpenEye OEToolkits,1.7.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2QN
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I

2QN,OpenEye OEToolkits,1.7.6,SMILES
type: pdbx chem comp descriptor
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 2QN
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cc(ccc1C(=O)NCCCCC(C(=O)O)NC(=O)NC(Cc2ccncc2)C(=O)O)I

2QN,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 2QN
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine

2QN,OpenEye OEToolkits,1.7.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 2QN
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.7.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: (2S)-6-[(4-iodophenyl)carbonylamino]-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]carbamoylamino]hexanoic acid