Structure of PDB 1znb Chain A Binding Site BS02

Receptor Information
>1znb Chain A (length=228) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSVKISDDISITQLSDKVYTYVSLAEIEGMVPSNGMIVINNHQAALLDTP
INDAQTETLVNWVADSLHAKVTTFIPNHWHGDCIGGLGYLQKKGVQSYAN
QMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVWL
PTENILFGGCMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVVP
GHGDYGGTELIEHTKQIVNQYIESTSKP
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 chain1znb 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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PDB1znb Crystal structure of the wide-spectrum binuclear zinc beta-lactamase from Bacteroides fragilis.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D103 C181 H223
Binding residue
(residue number reindexed from 1)		D82 C160 H202
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) H78 H80 D82 H141 C160 K163 N172 H202
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:1znb, PDBe:1znb, PDBj:1znb
PDBsum1znb
PubMed8805566
UniProtP25910|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

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