Structure of PDB 2znb Chain A Binding Site BS02

Receptor Information
>2znb Chain A (length=222) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVKISDDISITQLSDKVYTYVSLAMVPSNGMIVINNHQAALLDTPINDAQ
TETLVNWVADSLHAKVTTFIPNHWHGDCIGGLGYLQKKGVQSYANQMTID
LAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVWLPTENI
LFGGCMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVVPGHGDY
GGTELIEHTKQIVNQYIESTSK
Ligand information
Ligand IDCD
InChIInChI=1S/Cd/q+2
InChIKeyWLZRMCYVCSSEQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Cd++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cd+2]
FormulaCd
NameCADMIUM ION
ChEMBL
DrugBank
ZINC
PDB chain2znb Chain A Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2znb Crystal structures of the cadmium- and mercury-substituted metallo-beta-lactamase from Bacteroides fragilis.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D103 C181 H223
Binding residue
(residue number reindexed from 1)		D77 C155 H197
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H99 H101 D103 H162 C181 K184 N193 H223
Catalytic site (residue number reindexed from 1) H73 H75 D77 H136 C155 K158 N167 H197
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008800 beta-lactamase activity
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2znb, PDBe:2znb, PDBj:2znb
PDBsum2znb
PubMed9416622
UniProtP25910|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

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