(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
type: datablock
datablock name: IM2
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
has pdbx chem comp synonyms category: pdbx chem comp synonymsCategory

IM2
type: chem comp
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
chem comp.id: IM2
chem comp.formula: C12 H19 N3 O4 S
chem comp.formula weight: 301.362
chem comp.name: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
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: 1999-07-13
chem comp.pdbx model coordinates db code: 1BT5
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2020-06-17
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx synonyms: IMIPENEM, open form; N-FORMIMIDOYL-THIENAMYCINE, open form
chem comp.pdbx type: HETAIN
chem comp.three letter code: IM2
chem comp.type: non-polymer

C7,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.550
chem comp atom.model cartn y: 8.105
chem comp atom.model cartn z: 36.846
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.670
chem comp atom.pdbx model cartn y ideal: 1.773
chem comp atom.pdbx model cartn z ideal: 0.978
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.375
chem comp atom.model cartn y: 12.047
chem comp atom.model cartn z: 35.208
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.053
chem comp atom.pdbx model cartn y ideal: -0.664
chem comp atom.pdbx model cartn z ideal: -0.853
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.817
chem comp atom.model cartn y: 8.925
chem comp atom.model cartn z: 36.995
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.581
chem comp atom.pdbx model cartn y ideal: 1.667
chem comp atom.pdbx model cartn z ideal: -0.218
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C5,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.461
chem comp atom.model cartn y: 10.388
chem comp atom.model cartn z: 36.570
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.183
chem comp atom.pdbx model cartn y ideal: 0.451
chem comp atom.pdbx model cartn z ideal: -1.056
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

C3,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.455
chem comp atom.model cartn y: 11.398
chem comp atom.model cartn z: 34.501
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.987
chem comp atom.pdbx model cartn y ideal: -1.362
chem comp atom.pdbx model cartn z ideal: -0.180
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O7,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O7
chem comp atom.comp id: IM2
chem comp atom.alt atom id: O7
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.445
chem comp atom.model cartn y: 8.626
chem comp atom.model cartn z: 37.017
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O7
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.992
chem comp atom.pdbx model cartn y ideal: 2.760
chem comp atom.pdbx model cartn z ideal: 1.135
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C61,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C61
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C61
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.440
chem comp atom.model cartn y: 8.881
chem comp atom.model cartn z: 38.392
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C61
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.027
chem comp atom.pdbx model cartn y ideal: 1.509
chem comp atom.pdbx model cartn z ideal: 0.256
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O62,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O62
chem comp atom.comp id: IM2
chem comp atom.alt atom id: O62
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.708
chem comp atom.model cartn y: 7.554
chem comp atom.model cartn z: 38.873
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O62
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.142
chem comp atom.pdbx model cartn y ideal: 0.325
chem comp atom.pdbx model cartn z ideal: 1.049
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C62,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C62
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C62
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.520
chem comp atom.model cartn y: 9.614
chem comp atom.model cartn z: 39.437
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C62
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.953
chem comp atom.pdbx model cartn y ideal: 1.401
chem comp atom.pdbx model cartn z ideal: -0.958
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N4,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: N4
chem comp atom.comp id: IM2
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.074
chem comp atom.model cartn y: 10.188
chem comp atom.model cartn z: 35.164
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N4
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.260
chem comp atom.pdbx model cartn y ideal: -0.774
chem comp atom.pdbx model cartn z ideal: -0.250
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C31,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C31
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C31
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.799
chem comp atom.model cartn y: 11.797
chem comp atom.model cartn z: 33.240
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C31
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.715
chem comp atom.pdbx model cartn y ideal: -2.559
chem comp atom.pdbx model cartn z ideal: 0.523
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O31,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O31
chem comp atom.comp id: IM2
chem comp atom.alt atom id: O31
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.167
chem comp atom.model cartn y: 10.849
chem comp atom.model cartn z: 32.545
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O31
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.431
chem comp atom.pdbx model cartn y ideal: -2.960
chem comp atom.pdbx model cartn z ideal: 0.621
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O32,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O32
chem comp atom.comp id: IM2
chem comp atom.alt atom id: O32
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.851
chem comp atom.model cartn y: 12.963
chem comp atom.model cartn z: 32.892
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O32
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.725
chem comp atom.pdbx model cartn y ideal: -3.257
chem comp atom.pdbx model cartn z ideal: 1.084
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

S21,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: S21
chem comp atom.comp id: IM2
chem comp atom.alt atom id: S21
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.055
chem comp atom.model cartn y: 13.608
chem comp atom.model cartn z: 34.738
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: S21
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.650
chem comp atom.pdbx model cartn y ideal: -1.094
chem comp atom.pdbx model cartn z ideal: -0.987
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

C22,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.214
chem comp atom.model cartn y: 13.842
chem comp atom.model cartn z: 36.128
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.396
chem comp atom.pdbx model cartn y ideal: 0.292
chem comp atom.pdbx model cartn z ideal: -0.093
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.593
chem comp atom.model cartn y: 13.186
chem comp atom.model cartn z: 35.847
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.920
chem comp atom.pdbx model cartn y ideal: 0.195
chem comp atom.pdbx model cartn z ideal: -0.182
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N24,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: N24
chem comp atom.comp id: IM2
chem comp atom.alt atom id: N24
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.095
chem comp atom.model cartn y: 13.500
chem comp atom.model cartn z: 34.499
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N24
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.524
chem comp atom.pdbx model cartn y ideal: 1.317
chem comp atom.pdbx model cartn z ideal: 0.542
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C25,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.742
chem comp atom.model cartn y: 12.504
chem comp atom.model cartn z: 33.894
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.887
chem comp atom.pdbx model cartn y ideal: 1.441
chem comp atom.pdbx model cartn z ideal: 0.600
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N26,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: N26
chem comp atom.comp id: IM2
chem comp atom.alt atom id: N26
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.632
chem comp atom.model cartn y: 11.793
chem comp atom.model cartn z: 34.420
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N26
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.641
chem comp atom.pdbx model cartn y ideal: 0.567
chem comp atom.pdbx model cartn z ideal: 0.016
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C1,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: IM2
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.708
chem comp atom.model cartn y: 11.306
chem comp atom.model cartn z: 36.519
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.706
chem comp atom.pdbx model cartn y ideal: 0.546
chem comp atom.pdbx model cartn z ideal: -1.481
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H71,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H71
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H71
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.616
chem comp atom.model cartn y: 7.058
chem comp atom.model cartn z: 36.589
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H71
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.626
chem comp atom.pdbx model cartn y ideal: 0.968
chem comp atom.pdbx model cartn z ideal: 1.696
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H61A,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H61A
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H61A
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.560
chem comp atom.model cartn y: 8.542
chem comp atom.model cartn z: 36.279
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H61A
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.494
chem comp atom.pdbx model cartn y ideal: 2.570
chem comp atom.pdbx model cartn z ideal: -0.822
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H51,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H51
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H51
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.657
chem comp atom.model cartn y: 10.813
chem comp atom.model cartn z: 37.189
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H51
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.824
chem comp atom.pdbx model cartn y ideal: 0.370
chem comp atom.pdbx model cartn z ideal: -1.934
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H61,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H61
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H61
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.387
chem comp atom.model cartn y: 9.439
chem comp atom.model cartn z: 38.350
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H61
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.311
chem comp atom.pdbx model cartn y ideal: 2.375
chem comp atom.pdbx model cartn z ideal: 0.854
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO6,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: HO6
chem comp atom.comp id: IM2
chem comp atom.alt atom id: HO6
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.092
chem comp atom.model cartn y: 7.603
chem comp atom.model cartn z: 39.741
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO6
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.034
chem comp atom.pdbx model cartn y ideal: 0.161
chem comp atom.pdbx model cartn z ideal: 1.383
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H621,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H621
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H621
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.987
chem comp atom.model cartn y: 9.570
chem comp atom.model cartn z: 40.432
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H621
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.669
chem comp atom.pdbx model cartn y ideal: 0.535
chem comp atom.pdbx model cartn z ideal: -1.555
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H622,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H622
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H622
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.392
chem comp atom.model cartn y: 10.665
chem comp atom.model cartn z: 39.139
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H622
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.983
chem comp atom.pdbx model cartn y ideal: 1.288
chem comp atom.pdbx model cartn z ideal: -0.620
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H623,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H623
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H623
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.538
chem comp atom.model cartn y: 9.120
chem comp atom.model cartn z: 39.471
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H623
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.865
chem comp atom.pdbx model cartn y ideal: 2.304
chem comp atom.pdbx model cartn z ideal: -1.562
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H41,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H41
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H41
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.559
chem comp atom.model cartn y: 9.405
chem comp atom.model cartn z: 34.774
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H41
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.063
chem comp atom.pdbx model cartn y ideal: -1.120
chem comp atom.pdbx model cartn z ideal: 0.170
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H321,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H321
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H321
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.381
chem comp atom.model cartn y: 13.071
chem comp atom.model cartn z: 32.073
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H321
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.441
chem comp atom.pdbx model cartn y ideal: -4.060
chem comp atom.pdbx model cartn z ideal: 1.542
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H221,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H221
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H221
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.360
chem comp atom.model cartn y: 14.920
chem comp atom.model cartn z: 36.292
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H221
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.065
chem comp atom.pdbx model cartn y ideal: 1.231
chem comp atom.pdbx model cartn z ideal: -0.537
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H222,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H222
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H222
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.782
chem comp atom.model cartn y: 13.388
chem comp atom.model cartn z: 37.032
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H222
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.090
chem comp atom.pdbx model cartn y ideal: 0.257
chem comp atom.pdbx model cartn z ideal: 0.952
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H231,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H231
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H231
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.317
chem comp atom.model cartn y: 13.553
chem comp atom.model cartn z: 36.589
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H231
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.251
chem comp atom.pdbx model cartn y ideal: -0.744
chem comp atom.pdbx model cartn z ideal: 0.262
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H232,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H232
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H232
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.492
chem comp atom.model cartn y: 12.095
chem comp atom.model cartn z: 35.942
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H232
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.227
chem comp atom.pdbx model cartn y ideal: 0.230
chem comp atom.pdbx model cartn z ideal: -1.227
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H241,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H241
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H241
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.961
chem comp atom.model cartn y: 14.393
chem comp atom.model cartn z: 34.070
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H241
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.958
chem comp atom.pdbx model cartn y ideal: 1.972
chem comp atom.pdbx model cartn z ideal: 0.979
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.479
chem comp atom.model cartn y: 12.292
chem comp atom.model cartn z: 32.868
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: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.332
chem comp atom.pdbx model cartn y ideal: 2.268
chem comp atom.pdbx model cartn z ideal: 1.133
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H26,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H26
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H26
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.984
chem comp atom.model cartn y: 11.104
chem comp atom.model cartn z: 33.787
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H26
chem comp atom.pdbx component comp id: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.606
chem comp atom.pdbx model cartn y ideal: 0.654
chem comp atom.pdbx model cartn z ideal: 0.058
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.644
chem comp atom.model cartn y: 10.733
chem comp atom.model cartn z: 36.448
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: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.263
chem comp atom.pdbx model cartn y ideal: 1.462
chem comp atom.pdbx model cartn z ideal: -1.092
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,IM2
type: chem comp atom
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: IM2
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.760
chem comp atom.model cartn y: 11.987
chem comp atom.model cartn z: 37.381
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: IM2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.613
chem comp atom.pdbx model cartn y ideal: 0.508
chem comp atom.pdbx model cartn z ideal: -2.566
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C7,C6,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C6
chem comp bond.comp id: IM2
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: sing

C7,O7,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O7
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C7,H71,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H71
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C3,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C2,S21,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: S21
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C1,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C1
chem comp bond.comp id: IM2
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

C6,C5,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C5
chem comp bond.comp id: IM2
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

C6,C61,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C61
chem comp bond.comp id: IM2
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

C6,H61A,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61A
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,N4,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: N4
chem comp bond.comp id: IM2
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

C5,C1,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C1
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,H51,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H51
chem comp bond.comp id: IM2
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

C3,N4,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: N4
chem comp bond.comp id: IM2
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

C3,C31,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C31
chem comp bond.comp id: IM2
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

C61,O62,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: O62
chem comp bond.comp id: IM2
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: sing

C61,C62,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: C62
chem comp bond.comp id: IM2
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

C61,H61,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: H61
chem comp bond.comp id: IM2
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

O62,HO6,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: O62
chem comp bond.atom id 2: HO6
chem comp bond.comp id: IM2
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

C62,H621,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C62
chem comp bond.atom id 2: H621
chem comp bond.comp id: IM2
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

C62,H622,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C62
chem comp bond.atom id 2: H622
chem comp bond.comp id: IM2
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

C62,H623,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C62
chem comp bond.atom id 2: H623
chem comp bond.comp id: IM2
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

N4,H41,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: N4
chem comp bond.atom id 2: H41
chem comp bond.comp id: IM2
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: sing

C31,O31,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: O31
chem comp bond.comp id: IM2
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: doub

C31,O32,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: O32
chem comp bond.comp id: IM2
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

O32,H321,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: O32
chem comp bond.atom id 2: H321
chem comp bond.comp id: IM2
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

S21,C22,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: S21
chem comp bond.atom id 2: C22
chem comp bond.comp id: IM2
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: sing

C22,C23,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C23
chem comp bond.comp id: IM2
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

C22,H221,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H221
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H222,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H222
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,N24,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: N24
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H231,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H231
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H232,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H232
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N24,C25,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: N24
chem comp bond.atom id 2: C25
chem comp bond.comp id: IM2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N24,H241,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: N24
chem comp bond.atom id 2: H241
chem comp bond.comp id: IM2
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

C25,N26,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: N26
chem comp bond.comp id: IM2
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: doub

C25,H25,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H25
chem comp bond.comp id: IM2
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

N26,H26,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: N26
chem comp bond.atom id 2: H26
chem comp bond.comp id: IM2
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

C1,H11,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H11
chem comp bond.comp id: IM2
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

C1,H12,IM2
type: chem comp bond
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/IM2/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H12
chem comp bond.comp id: IM2
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

Create component,IM2,1999-07-13
type: pdbx chem comp audit
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: IM2
pdbx chem comp audit.date: 1999-07-13
pdbx chem comp audit.processing site: RCSB

Modify descriptor,IM2,2011-06-04
type: pdbx chem comp audit
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify descriptor
pdbx chem comp audit.comp id: IM2
pdbx chem comp audit.date: 2011-06-04
pdbx chem comp audit.processing site: RCSB

Modify name,IM2,2011-07-12
type: pdbx chem comp audit
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify name
pdbx chem comp audit.comp id: IM2
pdbx chem comp audit.date: 2011-07-12
pdbx chem comp audit.processing site: RCSB

Modify synonyms,IM2,2011-11-16
type: pdbx chem comp audit
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify synonyms
pdbx chem comp audit.comp id: IM2
pdbx chem comp audit.date: 2011-11-16
pdbx chem comp audit.processing site: RCSB

Modify synonyms,IM2,2020-06-05
type: pdbx chem comp audit
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify synonyms
pdbx chem comp audit.comp id: IM2
pdbx chem comp audit.date: 2020-06-05
pdbx chem comp audit.processing site: PDBE

IM2,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: IM2
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: O=C(O)C1=C(SCCNC=[N@H])CC(N1)C(C=O)C(O)C

IM2,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: IM2
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/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-9,15,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-/m1/s1

IM2,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: IM2
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: UACUABDJLSUFFC-IWSPIJDZSA-N

IM2,CACTVS,3.370,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: IM2
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.370
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: C[C@@H](O)[C@@H](C=O)[C@H]1CC(=C(N1)C(O)=O)SCCNC=N

IM2,CACTVS,3.370,SMILES
type: pdbx chem comp descriptor
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: IM2
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.370
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: C[CH](O)[CH](C=O)[CH]1CC(=C(N1)C(O)=O)SCCNC=N

IM2,OpenEye OEToolkits,1.7.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: IM2
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: [H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@@H](C)O)C(=O)O

IM2,OpenEye OEToolkits,1.7.6,SMILES
type: pdbx chem comp descriptor
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: IM2
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: CC(C(C=O)C1CC(=C(N1)C(=O)O)SCCNC=N)O

IM2,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: IM2
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: (5R)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid

IM2,OpenEye OEToolkits,1.7.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: IM2
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: (2R)-4-(2-methanimidamidoethylsulfanyl)-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid

IM2,1
type: pdbx chem comp synonyms
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp synonyms.comp id: IM2
pdbx chem comp synonyms.ordinal: 1
pdbx chem comp synonyms.name: IMIPENEM, open form

IM2,2
type: pdbx chem comp synonyms
of datablock: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid
reference to chem comp: chem comp
pdbx chem comp synonyms.comp id: IM2
pdbx chem comp synonyms.ordinal: 2
pdbx chem comp synonyms.name: N-FORMIMIDOYL-THIENAMYCINE, open form