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BioLiP

Structure of PDB 1a8t Chain B Binding Site BS02

Receptor Information
>1a8t Chain B (length=228) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVINNHQAALLD
TPINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQSY
ANQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVV
WLPTENILFGGCMLKDNQTTSIGNISDADVTAWPKTLDKVKAKFPSARYV
VPGHGNYGGTELIEHTKQIVNQYIESTS
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 chain1a8t Chain B Residue 252 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1a8t Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		D86 C164 H206
Binding residue
(residue number reindexed from 1)		D84 C162 H204
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H82 H84 D86 H145 C164 K167 N176 H206
Catalytic site (residue number reindexed from 1) H80 H82 D84 H143 C162 K165 N174 H204
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:1a8t, PDBe:1a8t, PDBj:1a8t
PDBsum1a8t
PubMed9545432
UniProtP25910|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

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