Structure of PDB 2zw7 Chain A Binding Site BS01

Receptor Information
>2zw7 Chain A (length=293) Species: 29309 (Streptomyces verticillus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAHLRTARLELTPLDPAADARHLHHAYGDEEVMRWWTRPACADPAETERY
LTSCAAAPGARLWTIRAPDGTVPGMAGLLGGTDVPGLTWLLRRDSWGHGY
ATEAAAAVVGHALEDGGLDRVEAWIEAGNRRSLAVAARVGLTERARLAQH
YPHRPGPHEMVVLGKARAEEPLTTLAVITELPVRDVAATLRLVEAALGAR
TAFAIGDPPEFAEAALTPWSAGPRFRLAAVPGPGPVEPVRLHLDAAGTAD
SLHRRAVDAGARVDGPPVRRPWGRSEFVITLPEGHELTVSAPV
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 chain2zw7 Chain A Residue 401 [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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PDB2zw7 Catalytic mechanism of bleomycin N-acetyltransferase proposed on the basis of its crystal structure.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W97 L98 L99 W104 G105 H106 G107 A109 T110 N137 R139 S140 R146
Binding residue
(residue number reindexed from 1)		W89 L90 L91 W96 G97 H98 G99 A101 T102 N129 R131 S132 R138
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008999 peptide-alanine-alpha-N-acetyltransferase activity
GO:0016740 transferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:1990189 peptide-serine-alpha-N-acetyltransferase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2zw7, PDBe:2zw7, PDBj:2zw7
PDBsum2zw7
PubMed19889644
UniProtQ53796

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