Structure of PDB 4fsb Chain B Binding Site BS01

Receptor Information
>4fsb Chain B (length=232) Species: 550 (Enterobacter cloacae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDEL
LLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAG
VATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHS
TDNLVVYVPSASVLYGGCAIHELSRTSAGNVADADLAEWPTSIERIQQRY
PEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR
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 chain4fsb Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fsb The three-dimensional structure of VIM-31 - a metallo-beta-lactamase from Enterobacter cloacae in its native and oxidized form.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		H112 H114 H177
Binding residue
(residue number reindexed from 1)		H84 H86 H149
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H112 H114 D116 H177 C196 H199 N208 H238
Catalytic site (residue number reindexed from 1) H84 H86 D88 H149 C168 H171 N180 H210
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:4fsb, PDBe:4fsb, PDBj:4fsb
PDBsum4fsb
PubMed25825035
UniProtI3RJZ3

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