Structure of PDB 8aw0 Chain A Binding Site BS01

Receptor Information
>8aw0 Chain A (length=320) 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]
MNEPLVFMFSGQGSQYYHMGKELFKENTVFRQSMLEMDAIAARRIGTSIV
EEIYHPGKRVSDPFDSILFSHPAIFMIEYSLYKVLEDRGIYPDYVLGSSL
GEFAAAAVSGVSDAEDMLDCILEQAIIIQNSCDKGKMLAILDKPQLLNDH
PQLFGNSELISINYDSHFVISGEEDHIRKIMEDLKEKQILCQLLPVSYAF
HSSLIDPAESAYAEFLRSKSFQKPSIPIVSSLTGSCLHVMDENFFWNAVR
KPMMFREAIRYLESQHTCKFIDLGPSGTLAAFVKQLIPGDSADRCCSIIT
PFHQELKNLNTVEYFRTPER
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 chain8aw0 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8aw0 Structural basis for acyl hydrolysis in trans-AT polyketide synthases
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C236 H238
Binding residue
(residue number reindexed from 1)		C236 H238
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8aw0, PDBe:8aw0, PDBj:8aw0
PDBsum8aw0
PubMed
UniProtO34877|PKSD_BACSU Polyketide biosynthesis acyltransferase homolog PksD (Gene Name=pksD)

[Back to BioLiP]