Structure of PDB 1a8t Chain B Binding Site BS01

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 ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

1a8t Chain B Residue 251 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1a8t Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase.
Resolution	2.55 Å
Binding residue (original residue number in PDB)	H82 H84 H145
Binding residue (residue number reindexed from 1)	H80 H82 H143
Annotation score	1

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

View graph for
Biological Process

External links

PDB	RCSB:1a8t, PDBe:1a8t, PDBj:1a8t
PDBsum	1a8t
PubMed	9545432
UniProt	P25910\|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

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