Structure of PDB 2a7m Chain A Binding Site BS01

Receptor Information
>2a7m Chain A (length=250) Species: 29339 (Bacillus thuringiensis serovar kurstaki) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTVKKLYFIPAGRCMLDHSSVNSALTPGKLLNLPVWCYLLETEEGPILVD
TGMPESAVNNEGLFNGTFVEGQILPKMTEEDRIVNILKRVGYEPDDLLYI
ISSHLHFDHAGGNGAFTNTPIIVQRTEYEAALHREEYMKECILPHLNYKI
IEGDYEVVPGVQLLYTPGHSPGHQSLFIETEQSGSVLLTIDASYTKENFE
DEVPFAGFDPELALSSIKRLKEVVKKEKPIIFFGHDIEQEKSCRVFPEYI
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 chain2a7m Chain A Residue 251 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a7m Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D108 H109 D191 H235
Binding residue
(residue number reindexed from 1)		D108 H109 D191 H235
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.81: quorum-quenching N-acyl-homoserine lactonase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0102007 acyl-L-homoserine-lactone lactonohydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:2a7m, PDBe:2a7m, PDBj:2a7m
PDBsum2a7m
PubMed16087890
UniProtP0CJ63|AHLLA_BACTK N-acyl homoserine lactonase AiiA (Gene Name=aiiA)

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