Structure of PDB 8avz Chain B Binding Site BS01

Receptor Information
>8avz Chain B (length=315) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEPLVFMFSGQGSQYYHMGKELFKENTVFRQSMLEMDAIAARRIGTSIVE
EIYHPGKRVSDPFDSILFSHPAIFMIEYSLYKVLEDRGIYPDYVLGSSLG
EFAAAAVSGVSDAEDMLDCILEQAIIIQNSCDKGKMLAILDKPQLLNDHP
QLFGNSELISINYDSHFVISGEEDHIRKIMEDLKEKQILCQLLPVSYAFH
SSLIDPAESAYAEFLRSKSFQKPSIPIVSSLTGSCLHVMDENFFWNAVRK
PMMFREAIRYLESQHTCKFIDLGPSGTLAAFVKQLIPGDSADRCCSIITP
FHQELKNLNTVEYFR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8avz Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8avz Structural basis for acyl hydrolysis in trans-AT polyketide synthases
Resolution1.96 Å
Binding residue
(original residue number in PDB)		C236 H238
Binding residue
(residue number reindexed from 1)		C235 H237
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8avz, PDBe:8avz, PDBj:8avz
PDBsum8avz
PubMed
UniProtO34877|PKSD_BACSU Polyketide biosynthesis acyltransferase homolog PksD (Gene Name=pksD)

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