info:bmrb/17098
type: datablock
references: doi:10.13018/BMR17098
alternative label: bmr17098
title: Cofactor fingerprinting with STD NMR to characterize proteins of unknown function: identification of a rare cCMP cofactor preference
datablock name: 17098
has assembly category: assemblyCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chemical rate category: chemical rateCategory
has chemical rate experiment category: chemical rate experimentCategory
has chemical rate list category: chemical rate listCategory
has chemical rate software category: chemical rate softwareCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity comp index category: entity comp indexCategory
has entity db link category: entity db linkCategory
has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has experiment category: experimentCategory
has experiment list category: experiment listCategory
has nmr spectrometer category: nmr spectrometerCategory
has nmr spectrometer list category: nmr spectrometer listCategory
has nmr spectrometer view category: nmr spectrometer viewCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample component category: sample componentCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory
has software category: softwareCategory
has task category: taskCategory
has vendor category: vendorCategory

17098,1
type: assembly
of datablock: info:bmrb/17098
reference to entry: entry
assembly.entry id: 17098
assembly.id: 1
assembly.name: RSP2/ATP complex
assembly.non standard bonds: no
assembly.number of components: 2
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly

17098,ATP
type: chem comp
of datablock: info:bmrb/17098
reference to entry: entry
chem comp.entry id: 17098
chem comp.id: ATP
chem comp.aromatic: yes
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:00:26 2009
chem comp.formal charge: 0
chem comp.formula: C10 H16 N5 O13 P3
chem comp.formula weight: 507.181
chem comp.ideal coordinates missing flag: no
chem comp.model coordinates db code: 1B0U
chem comp.model coordinates missing flag: no
chem comp.name: ADENOSINE-5'-TRIPHOSPHATE
chem comp.paramagnetic: no
chem comp.pdb code: ATP
chem comp.processing site: PDBE
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_ATP
chem comp.three letter code: ATP
chem comp.type: NON-POLYMER

info:pdb-ccd/ATP

pdb-ccd:ATP

info:pdb.ligand/ATP

pdb.ligand:ATP

C1',ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: C1'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 48.133
chem comp atom.model cartn x ideal: -0.830
chem comp atom.model cartn y: 38.409
chem comp atom.model cartn y ideal: -0.418
chem comp atom.model cartn z: 51.721
chem comp atom.model cartn z ideal: 3.647
chem comp atom.pdb atom id: C1'
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C2,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.493
chem comp atom.model cartn x ideal: 0.644
chem comp atom.model cartn y: 38.151
chem comp atom.model cartn y ideal: -1.352
chem comp atom.model cartn z: 49.029
chem comp atom.model cartn z ideal: 7.783
chem comp atom.pdb atom id: C2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2',ATP,17098
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reference to entry: entry
chem comp atom.atom id: C2'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 48.719
chem comp atom.model cartn x ideal: -2.011
chem comp atom.model cartn y: 38.116
chem comp atom.model cartn y ideal: 0.555
chem comp atom.model cartn z: 53.139
chem comp atom.model cartn z ideal: 3.856
chem comp atom.pdb atom id: C2'
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C3',ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: C3'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 47.808
chem comp atom.model cartn x ideal: -2.683
chem comp atom.model cartn y: 38.874
chem comp atom.model cartn y ideal: 0.630
chem comp atom.model cartn z: 54.112
chem comp atom.model cartn z ideal: 2.465
chem comp atom.pdb atom id: C3'
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C4,ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 49.892
chem comp atom.model cartn x ideal: 0.644
chem comp atom.model cartn y: 39.253
chem comp atom.model cartn y ideal: -0.371
chem comp atom.model cartn z: 50.171
chem comp atom.model cartn z ideal: 5.704
chem comp atom.pdb atom id: C4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4',ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: C4'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 46.520
chem comp atom.model cartn x ideal: -1.831
chem comp atom.model cartn y: 38.989
chem comp atom.model cartn y ideal: -0.309
chem comp atom.model cartn z: 53.364
chem comp atom.model cartn z ideal: 1.584
chem comp atom.pdb atom id: C4'
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C5,ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 50.232
chem comp atom.model cartn x ideal: 1.833
chem comp atom.model cartn y: 40.470
chem comp atom.model cartn y ideal: 0.300
chem comp atom.model cartn z: 49.664
chem comp atom.model cartn z ideal: 6.033
chem comp atom.pdb atom id: C5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5',ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: C5'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 46.609
chem comp atom.model cartn x ideal: -1.694
chem comp atom.model cartn y: 40.422
chem comp atom.model cartn y ideal: 0.260
chem comp atom.model cartn z: 53.542
chem comp atom.model cartn z ideal: 0.170
chem comp atom.pdb atom id: C5'
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.308
chem comp atom.model cartn x ideal: 2.391
chem comp atom.model cartn y: 40.466
chem comp atom.model cartn y ideal: 0.077
chem comp atom.model cartn z: 48.731
chem comp atom.model cartn z ideal: 7.303
chem comp atom.pdb atom id: C6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,ATP,17098
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reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
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chem comp atom.model cartn x ideal: 1.302
chem comp atom.model cartn y: 40.842
chem comp atom.model cartn y ideal: 0.879
chem comp atom.model cartn z: 50.945
chem comp atom.model cartn z ideal: 4.012
chem comp atom.pdb atom id: C8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

H1',ATP,17098
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chem comp atom.atom id: H1'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
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chem comp atom.model cartn x ideal: -1.119
chem comp atom.model cartn y: 37.474
chem comp atom.model cartn y ideal: -1.430
chem comp atom.model cartn z: 51.117
chem comp atom.model cartn z ideal: 3.931
chem comp atom.pdb atom id: H1'
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chem comp atom.type symbol: H

H2,ATP,17098
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chem comp atom.atom id: H2
chem comp atom.comp id: ATP
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chem comp atom.model cartn x: 52.036
chem comp atom.model cartn x ideal: 0.166
chem comp atom.model cartn y: 37.229
chem comp atom.model cartn y ideal: -2.014
chem comp atom.model cartn z: 48.759
chem comp atom.model cartn z ideal: 8.490
chem comp atom.pdb atom id: H2
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2',ATP,17098
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chem comp atom.atom id: H2'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
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chem comp atom.model cartn x ideal: -1.646
chem comp atom.model cartn y: 38.422
chem comp atom.model cartn y ideal: 1.537
chem comp atom.model cartn z: 53.212
chem comp atom.model cartn z ideal: 4.157
chem comp atom.pdb atom id: H2'
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3',ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: H3'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
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chem comp atom.model cartn x ideal: -2.651
chem comp atom.model cartn y: 39.870
chem comp atom.model cartn y ideal: 1.649
chem comp atom.model cartn z: 54.375
chem comp atom.model cartn z ideal: 2.078
chem comp atom.pdb atom id: H3'
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4',ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: H4'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 45.665
chem comp atom.model cartn x ideal: -2.275
chem comp atom.model cartn y: 38.327
chem comp atom.model cartn y ideal: -1.304
chem comp atom.model cartn z: 53.639
chem comp atom.model cartn z ideal: 1.550
chem comp atom.pdb atom id: H4'
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5'1,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: H5'1
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 47.666
chem comp atom.model cartn x ideal: -2.678
chem comp atom.model cartn y: 40.570
chem comp atom.model cartn y ideal: 0.312
chem comp atom.model cartn z: 53.221
chem comp atom.model cartn z ideal: -0.296
chem comp atom.pdb atom id: H5'1
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5'2,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: H5'2
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 46.587
chem comp atom.model cartn x ideal: -1.263
chem comp atom.model cartn y: 40.459
chem comp atom.model cartn y ideal: 1.259
chem comp atom.model cartn z: 54.656
chem comp atom.model cartn z ideal: 0.221
chem comp atom.pdb atom id: H5'2
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H8,ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: H8
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
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chem comp atom.model cartn x ideal: 1.334
chem comp atom.model cartn y: 41.390
chem comp atom.model cartn y ideal: 1.357
chem comp atom.model cartn z: 51.499
chem comp atom.model cartn z ideal: 3.044
chem comp atom.pdb atom id: H8
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN61,ATP,17098
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reference to entry: entry
chem comp atom.atom id: HN61
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 52.491
chem comp atom.model cartn x ideal: 3.938
chem comp atom.model cartn y: 41.565
chem comp atom.model cartn y ideal: 0.548
chem comp atom.model cartn z: 47.460
chem comp atom.model cartn z ideal: 8.562
chem comp atom.pdb atom id: HN61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN62,ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: HN62
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.940
chem comp atom.model cartn x ideal: 4.015
chem comp atom.model cartn y: 42.252
chem comp atom.model cartn y ideal: 1.303
chem comp atom.model cartn z: 48.852
chem comp atom.model cartn z ideal: 7.064
chem comp atom.pdb atom id: HN62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO2',ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: HO2'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 49.196
chem comp atom.model cartn x ideal: -3.667
chem comp atom.model cartn y: 36.267
chem comp atom.model cartn y ideal: 0.662
chem comp atom.model cartn z: 52.822
chem comp atom.model cartn z ideal: 4.867
chem comp atom.pdb atom id: HO2'
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3',ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: HO3'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 48.532
chem comp atom.model cartn x ideal: -4.515
chem comp atom.model cartn y: 38.283
chem comp atom.model cartn y ideal: 0.788
chem comp atom.model cartn z: 55.898
chem comp atom.model cartn z ideal: 3.094
chem comp atom.pdb atom id: HO3'
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HOA2,ATP,17098
type: chem comp atom
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reference to entry: entry
chem comp atom.atom id: HOA2
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
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chem comp atom.model cartn x ideal: 0.752
chem comp atom.model cartn y: 41.710
chem comp atom.model cartn y ideal: 1.455
chem comp atom.model cartn z: 52.660
chem comp atom.model cartn z ideal: -1.563
chem comp atom.pdb atom id: HOA2
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HOB2,ATP,17098
type: chem comp atom
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chem comp atom.atom id: HOB2
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
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chem comp atom.model cartn z: 54.456
chem comp atom.model cartn z ideal: -5.132
chem comp atom.pdb atom id: HOB2
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HOG2,ATP,17098
type: chem comp atom
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chem comp atom.atom id: HOG2
chem comp atom.comp id: ATP
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chem comp atom.model cartn z: 57.197
chem comp atom.model cartn z ideal: -8.725
chem comp atom.pdb atom id: HOG2
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HOG3,ATP,17098
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chem comp atom.atom id: HOG3
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chem comp atom.model cartn z ideal: -7.522
chem comp atom.pdb atom id: HOG3
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N1,ATP,17098
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chem comp atom.atom id: N1
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chem comp atom.model cartn z ideal: 8.135
chem comp atom.pdb atom id: N1
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N3,ATP,17098
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chem comp atom.atom id: N3
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chem comp atom.model cartn z ideal: 6.602
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N6,ATP,17098
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N7,ATP,17098
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N9,ATP,17098
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O1A,ATP,17098
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O1B,ATP,17098
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O1G,ATP,17098
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O2',ATP,17098
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O2A,ATP,17098
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chem comp atom.model cartn z ideal: -1.957
chem comp atom.pdb atom id: O2A
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2B,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O2B
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 43.603
chem comp atom.model cartn x ideal: -1.231
chem comp atom.model cartn y: 44.767
chem comp atom.model cartn y ideal: -0.044
chem comp atom.model cartn z: 54.678
chem comp atom.model cartn z ideal: -5.057
chem comp atom.pdb atom id: O2B
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2G,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O2G
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 47.382
chem comp atom.model cartn x ideal: 2.123
chem comp atom.model cartn y: 44.497
chem comp atom.model cartn y ideal: -1.036
chem comp atom.model cartn z: 56.626
chem comp atom.model cartn z ideal: -7.891
chem comp atom.pdb atom id: O2G
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3',ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O3'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 47.713
chem comp atom.model cartn x ideal: -4.033
chem comp atom.model cartn y: 38.357
chem comp atom.model cartn y ideal: 0.165
chem comp atom.model cartn z: 55.423
chem comp atom.model cartn z ideal: 2.534
chem comp atom.pdb atom id: O3'
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3A,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O3A
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 44.917
chem comp atom.model cartn x ideal: 0.203
chem comp atom.model cartn y: 42.716
chem comp atom.model cartn y ideal: -0.840
chem comp atom.model cartn z: 54.789
chem comp atom.model cartn z ideal: -3.002
chem comp atom.pdb atom id: O3A
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3B,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O3B
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 45.041
chem comp atom.model cartn x ideal: 1.192
chem comp atom.model cartn y: 44.015
chem comp atom.model cartn y ideal: -0.990
chem comp atom.model cartn z: 56.738
chem comp atom.model cartn z ideal: -5.433
chem comp atom.pdb atom id: O3B
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3G,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O3G
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 45.972
chem comp atom.model cartn x ideal: -0.302
chem comp atom.model cartn y: 45.530
chem comp atom.model cartn y ideal: -0.139
chem comp atom.model cartn z: 58.375
chem comp atom.model cartn z ideal: -7.421
chem comp atom.pdb atom id: O3G
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O4',ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O4'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 46.785
chem comp atom.model cartn x ideal: -0.542
chem comp atom.model cartn y: 38.908
chem comp atom.model cartn y ideal: -0.355
chem comp atom.model cartn z: 51.948
chem comp atom.model cartn z ideal: 2.234
chem comp atom.pdb atom id: O4'
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O5',ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: O5'
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 46.172
chem comp atom.model cartn x ideal: -0.844
chem comp atom.model cartn y: 41.568
chem comp atom.model cartn y ideal: -0.587
chem comp atom.model cartn z: 53.302
chem comp atom.model cartn z ideal: -0.604
chem comp atom.pdb atom id: O5'
chem comp atom.stereo config: N
chem comp atom.type symbol: O

PA,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: PA
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 45.228
chem comp atom.model cartn x ideal: -0.745
chem comp atom.model cartn y: 42.669
chem comp atom.model cartn y ideal: 0.068
chem comp atom.model cartn z: 53.257
chem comp atom.model cartn z ideal: -2.071
chem comp atom.pdb atom id: PA
chem comp atom.stereo config: R
chem comp atom.type symbol: P

PB,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: PB
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 43.911
chem comp atom.model cartn x ideal: 0.255
chem comp atom.model cartn y: 43.740
chem comp atom.model cartn y ideal: -0.130
chem comp atom.model cartn z: 55.655
chem comp atom.model cartn z ideal: -4.446
chem comp atom.pdb atom id: PB
chem comp atom.stereo config: R
chem comp atom.type symbol: P

PG,ATP,17098
type: chem comp atom
of datablock: info:bmrb/17098
reference to entry: entry
chem comp atom.atom id: PG
chem comp atom.comp id: ATP
chem comp atom.entry id: 17098
chem comp atom.charge: 0
chem comp atom.model cartn x: 46.107
chem comp atom.model cartn x ideal: 1.200
chem comp atom.model cartn y: 45.182
chem comp atom.model cartn y ideal: -0.226
chem comp atom.model cartn z: 56.950
chem comp atom.model cartn z ideal: -6.850
chem comp atom.pdb atom id: PG
chem comp atom.stereo config: N
chem comp atom.type symbol: P

ATP,17098,1
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 1
chem comp bond.atom id 1: PG
chem comp bond.atom id 2: O1G
chem comp bond.ordinal: 1
chem comp bond.value order: DOUB

ATP,17098,2
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 2
chem comp bond.atom id 1: PG
chem comp bond.atom id 2: O2G
chem comp bond.ordinal: 2
chem comp bond.value order: SING

ATP,17098,3
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 3
chem comp bond.atom id 1: PG
chem comp bond.atom id 2: O3G
chem comp bond.ordinal: 3
chem comp bond.value order: SING

ATP,17098,4
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 4
chem comp bond.atom id 1: PG
chem comp bond.atom id 2: O3B
chem comp bond.ordinal: 4
chem comp bond.value order: SING

ATP,17098,5
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 5
chem comp bond.atom id 1: O2G
chem comp bond.atom id 2: HOG2
chem comp bond.ordinal: 5
chem comp bond.value order: SING

ATP,17098,6
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 6
chem comp bond.atom id 1: O3G
chem comp bond.atom id 2: HOG3
chem comp bond.ordinal: 6
chem comp bond.value order: SING

ATP,17098,7
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 7
chem comp bond.atom id 1: PB
chem comp bond.atom id 2: O1B
chem comp bond.ordinal: 7
chem comp bond.value order: DOUB

ATP,17098,8
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 8
chem comp bond.atom id 1: PB
chem comp bond.atom id 2: O2B
chem comp bond.ordinal: 8
chem comp bond.value order: SING

ATP,17098,9
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 9
chem comp bond.atom id 1: PB
chem comp bond.atom id 2: O3B
chem comp bond.ordinal: 9
chem comp bond.value order: SING

ATP,17098,10
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 10
chem comp bond.atom id 1: PB
chem comp bond.atom id 2: O3A
chem comp bond.ordinal: 10
chem comp bond.value order: SING

ATP,17098,11
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 11
chem comp bond.atom id 1: O2B
chem comp bond.atom id 2: HOB2
chem comp bond.ordinal: 11
chem comp bond.value order: SING

ATP,17098,12
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 12
chem comp bond.atom id 1: PA
chem comp bond.atom id 2: O1A
chem comp bond.ordinal: 12
chem comp bond.value order: DOUB

ATP,17098,13
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 13
chem comp bond.atom id 1: PA
chem comp bond.atom id 2: O2A
chem comp bond.ordinal: 13
chem comp bond.value order: SING

ATP,17098,14
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 14
chem comp bond.atom id 1: PA
chem comp bond.atom id 2: O3A
chem comp bond.ordinal: 14
chem comp bond.value order: SING

ATP,17098,15
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 15
chem comp bond.atom id 1: PA
chem comp bond.atom id 2: O5'
chem comp bond.ordinal: 15
chem comp bond.value order: SING

ATP,17098,16
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 16
chem comp bond.atom id 1: O2A
chem comp bond.atom id 2: HOA2
chem comp bond.ordinal: 16
chem comp bond.value order: SING

ATP,17098,17
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 17
chem comp bond.atom id 1: O5'
chem comp bond.atom id 2: C5'
chem comp bond.ordinal: 17
chem comp bond.value order: SING

ATP,17098,18
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 18
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: C4'
chem comp bond.ordinal: 18
chem comp bond.value order: SING

ATP,17098,19
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 19
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'1
chem comp bond.ordinal: 19
chem comp bond.value order: SING

ATP,17098,20
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 20
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'2
chem comp bond.ordinal: 20
chem comp bond.value order: SING

ATP,17098,21
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 21
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: O4'
chem comp bond.ordinal: 21
chem comp bond.value order: SING

ATP,17098,22
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 22
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: C3'
chem comp bond.ordinal: 22
chem comp bond.value order: SING

ATP,17098,23
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 23
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: H4'
chem comp bond.ordinal: 23
chem comp bond.value order: SING

ATP,17098,24
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 24
chem comp bond.atom id 1: O4'
chem comp bond.atom id 2: C1'
chem comp bond.ordinal: 24
chem comp bond.value order: SING

ATP,17098,25
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 25
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: O3'
chem comp bond.ordinal: 25
chem comp bond.value order: SING

ATP,17098,26
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 26
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: C2'
chem comp bond.ordinal: 26
chem comp bond.value order: SING

ATP,17098,27
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 27
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: H3'
chem comp bond.ordinal: 27
chem comp bond.value order: SING

ATP,17098,28
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 28
chem comp bond.atom id 1: O3'
chem comp bond.atom id 2: HO3'
chem comp bond.ordinal: 28
chem comp bond.value order: SING

ATP,17098,29
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 29
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: O2'
chem comp bond.ordinal: 29
chem comp bond.value order: SING

ATP,17098,30
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 30
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: C1'
chem comp bond.ordinal: 30
chem comp bond.value order: SING

ATP,17098,31
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 31
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: H2'
chem comp bond.ordinal: 31
chem comp bond.value order: SING

ATP,17098,32
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 32
chem comp bond.atom id 1: O2'
chem comp bond.atom id 2: HO2'
chem comp bond.ordinal: 32
chem comp bond.value order: SING

ATP,17098,33
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 33
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: N9
chem comp bond.ordinal: 33
chem comp bond.value order: SING

ATP,17098,34
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 34
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: H1'
chem comp bond.ordinal: 34
chem comp bond.value order: SING

ATP,17098,35
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 35
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: C8
chem comp bond.ordinal: 35
chem comp bond.value order: SING

ATP,17098,36
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 36
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 36
chem comp bond.value order: SING

ATP,17098,37
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 37
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: N7
chem comp bond.ordinal: 37
chem comp bond.value order: DOUB

ATP,17098,38
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 38
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H8
chem comp bond.ordinal: 38
chem comp bond.value order: SING

ATP,17098,39
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 39
chem comp bond.atom id 1: N7
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 39
chem comp bond.value order: SING

ATP,17098,40
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 40
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 40
chem comp bond.value order: SING

ATP,17098,41
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 41
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 41
chem comp bond.value order: DOUB

ATP,17098,42
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 42
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: N6
chem comp bond.ordinal: 42
chem comp bond.value order: SING

ATP,17098,43
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 43
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: N1
chem comp bond.ordinal: 43
chem comp bond.value order: DOUB

ATP,17098,44
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 44
chem comp bond.atom id 1: N6
chem comp bond.atom id 2: HN61
chem comp bond.ordinal: 44
chem comp bond.value order: SING

ATP,17098,45
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 45
chem comp bond.atom id 1: N6
chem comp bond.atom id 2: HN62
chem comp bond.ordinal: 45
chem comp bond.value order: SING

ATP,17098,46
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 46
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 46
chem comp bond.value order: SING

ATP,17098,47
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 47
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N3
chem comp bond.ordinal: 47
chem comp bond.value order: DOUB

ATP,17098,48
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 48
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 48
chem comp bond.value order: SING

ATP,17098,49
type: chem comp bond
of datablock: info:bmrb/17098
chem comp bond.comp id: ATP
chem comp bond.entry id: 17098
chem comp bond.id: 49
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 49
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr17098/chem_comp_descriptor/ATP,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(%3DO)(O)OP(%3DO)(O)OP(%3DO)(O)O)O)O)N,17098,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/17098
chem comp descriptor.comp id: ATP
chem comp descriptor.descriptor: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
chem comp descriptor.entry id: 17098
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr17098/chem_comp_descriptor/ATP,c1nc(c2c(n1)n(cn2)%5BC%40H%5D3%5BC%40%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(O3)CO%5BP%40%40%5D(%3DO)(O)O%5BP,17098,OECHEM,1.5.0,SMILES_CANONIC[cell cut: 202 characters, first 200 kept]
type: chem comp descriptor
of datablock: info:bmrb/17098
chem comp descriptor.comp id: ATP
chem comp descriptor.descriptor: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
chem comp descriptor.entry id: 17098
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

ATP,,17098,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/17098
chem comp descriptor.comp id: ATP
chem comp descriptor.descriptor: InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19,21,23H,11H2
chem comp descriptor.entry id: 17098
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr17098/chem_comp_descriptor/ATP,Nc1ncnc2n(cnc12)%5BC%40%40H%5D3O%5BC%40H%5D(CO%5BP%40%5D(O)(%3DO)O%5BP%40%40%5D(O)(%3DO)O%5BP%5D(O)(,17098,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/17098
chem comp descriptor.comp id: ATP
chem comp descriptor.descriptor: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
chem comp descriptor.entry id: 17098
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr17098/chem_comp_descriptor/ATP,Nc1ncnc2n(cnc12)%5BCH%5D3O%5BCH%5D(CO%5BP%5D(O)(%3DO)O%5BP%5D(O)(%3DO)O%5BP%5D(O)(O)%3DO)%5B,17098,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/17098
chem comp descriptor.comp id: ATP
chem comp descriptor.descriptor: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
chem comp descriptor.entry id: 17098
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr17098/chem_comp_descriptor/ATP,O%3DP(O)(O)OP(%3DO)(O)OP(%3DO)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O,17098,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/17098
chem comp descriptor.comp id: ATP
chem comp descriptor.descriptor: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
chem comp descriptor.entry id: 17098
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

ATP,ZKHQWZAMYRWXGA-FJYXAIENDD,17098,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/17098
chem comp descriptor.comp id: ATP
chem comp descriptor.descriptor: ZKHQWZAMYRWXGA-FJYXAIENDD
chem comp descriptor.entry id: 17098
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

ATP,17098,[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/17098
chem comp identifier.comp id: ATP
chem comp identifier.entry id: 17098
chem comp identifier.identifier: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

ATP,17098,adenosine 5'-(tetrahydrogen triphosphate),ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/17098
chem comp identifier.comp id: ATP
chem comp identifier.entry id: 17098
chem comp identifier.identifier: adenosine 5'-(tetrahydrogen triphosphate)
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

1,17098,1
type: chemical rate
of datablock: info:bmrb/17098
reference to entry: entry
chemical rate.chemical rate list id: 1
chemical rate.entry id: 17098
chemical rate.id: 1
chemical rate.assembly atom id: 0
chemical rate.assembly id: 1
chemical rate.atom id: na
chemical rate.comp id: na
chemical rate.comp index id: 0
chemical rate.entity assembly id: 1
chemical rate.entity id: 1
chemical rate.resonance id: 0
chemical rate.seq id: 0
chemical rate.val: 45
chemical rate.val type: k'
chemical rate.val units: us-1

1,17098,1
type: chemical rate experiment
of datablock: info:bmrb/17098
reference to entry: entry
chemical rate experiment.chemical rate list id: 1
chemical rate experiment.entry id: 17098
chemical rate experiment.experiment id: 1
chemical rate experiment.experiment name: 1D STD 1H NMR
chemical rate experiment.sample id: 1
chemical rate experiment.sample label: sample_1
chemical rate experiment.sample state: isotropic

1,17098,2
type: chemical rate experiment
of datablock: info:bmrb/17098
reference to entry: entry
chemical rate experiment.chemical rate list id: 1
chemical rate experiment.entry id: 17098
chemical rate experiment.experiment id: 2
chemical rate experiment.experiment name: 1D STD 1H NMR
chemical rate experiment.sample id: 2
chemical rate experiment.sample label: sample_2
chemical rate experiment.sample state: isotropic

17098,1
type: chemical rate list
of datablock: info:bmrb/17098
reference to entry: entry
chemical rate list.entry id: 17098
chemical rate list.id: 1
chemical rate list.sample condition list id: 1
chemical rate list.sample condition list label: sample_conditions_1
chemical rate list.sf category: chemical_rates
chemical rate list.sf framecode: Chemical_rate_list

1,17098,1
type: chemical rate software
of datablock: info:bmrb/17098
reference to entry: entry
chemical rate software.chemical rate list id: 1
chemical rate software.entry id: 17098
chemical rate software.software id: 1
chemical rate software.method id: 0
chemical rate software.software label: MestRe-C

1,17098,2
type: chemical rate software
of datablock: info:bmrb/17098
reference to entry: entry
chemical rate software.chemical rate list id: 1
chemical rate software.entry id: 17098
chemical rate software.software id: 2
chemical rate software.method id: 0
chemical rate software.software label: SigmaPlot

17098,1
type: citation
of datablock: info:bmrb/17098
reference to entry: entry
citation.entry id: 17098
citation.id: 1
citation.class: entry citation
citation.doi: 10.1016/j.febslet.2004.11.110
citation.journal abbrev: FEBS Lett.
citation.journal issn: 0014-5793
citation.journal issue: 3
citation.journal name full: FEBS letters
citation.journal volume: 579
citation.page first: 661
citation.page last: 666
citation.pubmed id: 15670825
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Cofactor fingerprinting with STD NMR to characterize proteins of unknown function: identification of a rare cCMP cofactor preference.
citation.type: journal
citation.year: 2005

info:doi/10.1016/j.febslet.2004.11.110

doi:10.1016/j.febslet.2004.11.110

urn:ISSN:0014-5793

issn:0014-5793

info:pmid/15670825

pubmed:15670825

1,17098,1
type: citation author
of datablock: info:bmrb/17098
citation author.citation id: 1
citation author.entry id: 17098
citation author.ordinal: 1
citation author.family name: Yao
citation author.given name: Huili
citation author.pdbx name: Yao, H.

1,17098,2
type: citation author
of datablock: info:bmrb/17098
citation author.citation id: 1
citation author.entry id: 17098
citation author.ordinal: 2
citation author.family name: Sem
citation author.given name: Daniel
citation author.middle initials: S.
citation author.pdbx name: Sem, D.S.

17098,chemical rates
type: data set
of datablock: info:bmrb/17098
reference to entry: entry
data set.entry id: 17098
data set.type: chemical_rates
data set.count: 1

17098,chemical rates
type: datum
of datablock: info:bmrb/17098
reference to entry: entry
datum.entry id: 17098
datum.type: chemical rates
datum.count: 1

17098,1
type: entity
of datablock: info:bmrb/17098
reference to entry: entry
entity.entry id: 17098
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.db query revised last date: 2015-11-24Z
entity.formula weight: 77362.34
entity.name: RSP2
entity.nonpolymer comp id: ATP
entity.nonpolymer comp label: chem_comp_ATP
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 738
entity.paramagnetic: no
entity.parent entity id: 1
entity.polymer seq one letter code: MAPTQAGHDTAYLKETVGEALARGCAAAISAQPNDPVEYLGLWLLKYVKNAEVEGNFYRERQQDLQKKKDRLVKEAQSEQAAKSVALTRKEAADALALVTAEPRELLEAAVKLVKQHTAAGAAYAAVVAEPEEPDWVAPEDDEAAAVETEDEAAGGAALAEGEEPPPEPEPEPEAAPEDGEGDAPAPKIPRPVDYSKKYFAYVAASAGQEHVLEADLYRPAPPPEDADEDFKPEPLPYSFRVLDEKLPMLYVPNVAAEERVKFFRKFPKIGSYQACGVALPASGEFKALLAADTLFPEGSGQPLSADDRDFVWEVSQSLSRALEAVQARAAEALAATSAAEAVEELKAKVAELREQAAAEAAAAAPPPPAEGEEGEGEAPPAEEEPPAEEEAEEEEEEAEEGAEEGAEEGEEGEEAPPKPKKKKKVFNPIPGLQAAIEKLTAAAEAATEADARAQAAVALEKQALDEVVALASSHSDATLSSLRNMLSVPQGTYHVVKALLHLLGRPAASFSTWKRAHSHFSPRLFEDMAAYDATAERDMAVWGRVRSCYKAAPAAKKLDAEMPNTLFGSVALMYIKQVRRVARKAVLQRELAAKLAKAQQDLADKQAALVEAERVKAEREAEEARLAAEAEAAAAAEAEAAARAAAEAEAAAAAEAAAEAAAEAAAAAAEAAAEAGEGEAVAEREAAPAEAEAAPAEGEAAPPAEGEGEAQPAQEGSNSSSSSSDSSSSEESKAAAE
entity.polymer seq one letter code can: MAPTQAGHDTAYLKETVGEALARGCAAAISAQPNDPVEYLGLWLLKYVKNAEVEGNFYRERQQDLQKKKDRLVKEAQSEQAAKSVALTRKEAADALALVTAEPRELLEAAVKLVKQHTAAGAAYAAVVAEPEEPDWVAPEDDEAAAVETEDEAAGGAALAEGEEPPPEPEPEPEAAPEDGEGDAPAPKIPRPVDYSKKYFAYVAASAGQEHVLEADLYRPAPPPEDADEDFKPEPLPYSFRVLDEKLPMLYVPNVAAEERVKFFRKFPKIGSYQACGVALPASGEFKALLAADTLFPEGSGQPLSADDRDFVWEVSQSLSRALEAVQARAAEALAATSAAEAVEELKAKVAELREQAAAEAAAAAPPPPAEGEEGEGEAPPAEEEPPAEEEAEEEEEEAEEGAEEGAEEGEEGEEAPPKPKKKKKVFNPIPGLQAAIEKLTAAAEAATEADARAQAAVALEKQALDEVVALASSHSDATLSSLRNMLSVPQGTYHVVKALLHLLGRPAASFSTWKRAHSHFSPRLFEDMAAYDATAERDMAVWGRVRSCYKAAPAAKKLDAEMPNTLFGSVALMYIKQVRRVARKAVLQRELAAKLAKAQQDLADKQAALVEAERVKAEREAEEARLAAEAEAAAAAEAEAAARAAAEAEAAAAAEAAAEAAAEAAAAAAEAAAEAGEGEAVAEREAAPAEAEAAPAEGEAAPPAEGEGEAQPAQEGSNSSSSSSDSSSSEESKAAAE
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: RSP2
entity.thiol state: not reported
entity.type: polymer

17098,2
type: entity
of datablock: info:bmrb/17098
reference to entry: entry
entity.entry id: 17098
entity.id: 2
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 507.181
entity.name: ATP
entity.nonpolymer comp id: ATP
entity.nonpolymer comp label: chem_comp_ATP
entity.nstd chirality: no
entity.nstd linkage: no
entity.paramagnetic: no
entity.parent entity id: 2
entity.polymer seq one letter code can: (ATP)
entity.sf category: entity
entity.sf framecode: ATP
entity.thiol state: not present
entity.type: non-polymer

1,17098,1
type: entity assembly
of datablock: info:bmrb/17098
entity assembly.assembly id: 1
entity assembly.entry id: 17098
entity assembly.id: 1
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: RSP2
entity assembly.entity id: 1
entity assembly.entity label: RSP2
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,17098,2
type: entity assembly
of datablock: info:bmrb/17098
entity assembly.assembly id: 1
entity assembly.entry id: 17098
entity assembly.id: 2
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: ATP
entity assembly.entity id: 2
entity assembly.entity label: ATP
entity assembly.experimental data reported: no
entity assembly.physical state: native

1,17098,1
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 1
entity comp index.comp id: MET

1,17098,2
type: entity comp index
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entity comp index.entity id: 1
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entity comp index.id: 2
entity comp index.comp id: ALA

1,17098,3
type: entity comp index
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entity comp index.id: 3
entity comp index.comp id: PRO

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entity comp index.id: 4
entity comp index.comp id: THR

1,17098,5
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entity comp index.id: 5
entity comp index.comp id: GLN

1,17098,6
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entity comp index.id: 6
entity comp index.comp id: ALA

1,17098,7
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entity comp index.id: 7
entity comp index.comp id: GLY

1,17098,8
type: entity comp index
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entity comp index.id: 8
entity comp index.comp id: HIS

1,17098,9
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entity comp index.id: 9
entity comp index.comp id: ASP

1,17098,10
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entity comp index.id: 10
entity comp index.comp id: THR

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entity comp index.id: 11
entity comp index.comp id: ALA

1,17098,12
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 12
entity comp index.comp id: TYR

1,17098,13
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 13
entity comp index.comp id: LEU

1,17098,14
type: entity comp index
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entity comp index.entry id: 17098
entity comp index.id: 14
entity comp index.comp id: LYS

1,17098,15
type: entity comp index
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entity comp index.entry id: 17098
entity comp index.id: 15
entity comp index.comp id: GLU

1,17098,16
type: entity comp index
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entity comp index.entry id: 17098
entity comp index.id: 16
entity comp index.comp id: THR

1,17098,17
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 17
entity comp index.comp id: VAL

1,17098,18
type: entity comp index
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entity comp index.entry id: 17098
entity comp index.id: 18
entity comp index.comp id: GLY

1,17098,19
type: entity comp index
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entity comp index.entry id: 17098
entity comp index.id: 19
entity comp index.comp id: GLU

1,17098,20
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 20
entity comp index.comp id: ALA

1,17098,21
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 21
entity comp index.comp id: LEU

1,17098,22
type: entity comp index
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entity comp index.entry id: 17098
entity comp index.id: 22
entity comp index.comp id: ALA

1,17098,23
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 23
entity comp index.comp id: ARG

1,17098,24
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 24
entity comp index.comp id: GLY

1,17098,25
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 25
entity comp index.comp id: CYS

1,17098,26
type: entity comp index
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entity comp index.id: 26
entity comp index.comp id: ALA

1,17098,27
type: entity comp index
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entity comp index.comp id: ALA

1,17098,28
type: entity comp index
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entity comp index.comp id: ALA

1,17098,29
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entity comp index.entity id: 1
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entity comp index.id: 29
entity comp index.comp id: ILE

1,17098,30
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entity comp index.entity id: 1
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entity comp index.id: 30
entity comp index.comp id: SER

1,17098,31
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entity comp index.id: 31
entity comp index.comp id: ALA

1,17098,32
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entity comp index.entity id: 1
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entity comp index.id: 32
entity comp index.comp id: GLN

1,17098,33
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entity comp index.id: 33
entity comp index.comp id: PRO

1,17098,34
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entity comp index.id: 34
entity comp index.comp id: ASN

1,17098,35
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entity comp index.id: 35
entity comp index.comp id: ASP

1,17098,36
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1,17098,37
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1,17098,38
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entity comp index.comp id: GLU

1,17098,39
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entity comp index.entity id: 1
entity comp index.entry id: 17098
entity comp index.id: 39
entity comp index.comp id: TYR

1,17098,40
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entity comp index.id: 40
entity comp index.comp id: LEU

1,17098,41
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entity comp index.comp id: GLY

1,17098,42
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1,17098,43
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entity comp index.comp id: TRP

1,17098,44
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1,17098,45
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entity comp index.comp id: LEU

1,17098,46
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entity comp index.comp id: LYS

1,17098,47
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entity comp index.comp id: TYR

1,17098,48
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entity comp index.comp id: VAL

1,17098,49
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entity comp index.comp id: LYS

1,17098,50
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1,17098,51
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entity comp index.comp id: ALA

1,17098,52
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1,17098,53
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1,17098,54
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1,17098,55
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1,17098,56
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info:ddbj-embl-genbank/AAQ92371

ncbiprotein:AAQ92371

EDP06497,GB,1,17098
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info:ddbj-embl-genbank/EDP06497

ncbiprotein:EDP06497

XP 001702718,REF,1,17098
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info:refseq/XP_001702718

refseq:XP_001702718

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info:uniprot/Q6UBQ3

uniprot:Q6UBQ3

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entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: RSP2
entity experimental src.host org genus: Escherichia
entity experimental src.host org name common: E. coli
entity experimental src.host org ncbi taxonomy id: 562
entity experimental src.host org scientific name: Escherichia coli
entity experimental src.host org species: coli
entity experimental src.host org strain: BL21
entity experimental src.host org variant: DE3
entity experimental src.production method: recombinant technology
entity experimental src.vector name: pET

info:taxonomy/562

taxonomy:562

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entity natural src.organism name scientific: Chlamydomonas reinhardtii
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info:taxonomy/3055

taxonomy:3055

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