Structure of PDB 2ozg Chain A Binding Site BS01

Receptor Information
>2ozg Chain A (length=388) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFKYTKASQENIQQLGNILEQCFVMSFGDSEIYVKGIGLENFRVIYREQK
VAGGLAILPMGQWWGGQRVPMAGIAAVGIAPEYRGDGAAIALIQHTLQEI
SEQDIPISVLYPATQRLYRKAGYEQAGSSCVWEIPTDSIQIQHASLPLEP
VVLKNNPIFHELYQQQAQLTHGYLDRHPAIWQGLNRTLDTETLYSYLIGD
KDKPQGYIIFTQERTRDGSILRIRDWVTLSNPAVQSFWTFIANHRSQIDK
VTWKSSVIDALTLLLPEQSATIRSQDRWMLRIVNVCKALEARGYPLGVEA
ELHLEVQDDLLATNQGKFILSVANGKSEVTKGGKGELQLDIKGLASLYTS
LFTPRQLQLTGKLQATETALLKATQIFAGESPWMIDFF
Ligand information
Ligand IDCOA
InChIInChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
InChIKeyRGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCS
OpenEye OEToolkits 1.5.0CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC21 H36 N7 O16 P3 S
NameCOENZYME A
ChEMBLCHEMBL1213327
DrugBankDB01992
ZINCZINC000008551087
PDB chain2ozg Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2ozg Crystal structure of GCN5-related N-acetyltransferase (YP_325469.1) from Anabaena variabilis ATCC 29413 at 2.00 A resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F30 V84 I86 R91 G92 G94 A96 I97 A120 T121 L124 Y125 K127
Binding residue
(residue number reindexed from 1)		F23 V77 I79 R84 G85 G87 A89 I90 A113 T114 L117 Y118 K120
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0034069 aminoglycoside N-acetyltransferase activity
Biological Process
GO:0030649 aminoglycoside antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2ozg, PDBe:2ozg, PDBj:2ozg
PDBsum2ozg
PubMed
UniProtQ3M362

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