Structure of PDB 4zej Chain B Binding Site BS01

Receptor Information
>4zej Chain B (length=219) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEVPELRIEKVKENIFLHTSYSRVNGFGLVSSNGLVVIDKGNAFIVDTPW
SDRDTETLVHWIRKNGYELLGSVSTHWHEDRTAGIKWLNDQSISTYATTS
TNHLLKENKKEPAKYTLKGNESTLVDGLIEVFYPGGGHTIDNVVVWLPKS
KILFGGCFVRSLDSEGLGYTGEAHIDQWSRSAQNALSRYSEAQIVIPGHG
KIGDIALLKHTKSLAETAS
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 chain4zej Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zej Characterization of DIM-1, an integron-encoded metallo-beta-lactamase from a Pseudomonas stutzeri clinical isolate in the Netherlands.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		H77 H79 H139
Binding residue
(residue number reindexed from 1)		H76 H78 H138
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H77 H79 D81 H139 C158 R161 Y170 H200
Catalytic site (residue number reindexed from 1) H76 H78 D80 H138 C157 R160 Y169 H199
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4zej, PDBe:4zej, PDBj:4zej
PDBsum4zej
PubMed
UniProtD5JGF6

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