Structure of PDB 4znb Chain A Binding Site BS01

Receptor Information

>4znb Chain A (length=227) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVKISDDISITQLSDKVYTYVSLAEIEGMVPSNGMIVINNHQAALLDTPI
NDAQTETLVNWVADSLHAKVTTFIPNHWHGDCIGGLGYLQKKGVQSYANQ
MTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVWLP
TENILFGGSMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVVPG
HGDYGGTELIEHTKQIVNQYIESTSKP

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

4znb Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	4znb Structural consequences of the active site substitution Cys181 --> Ser in metallo-beta-lactamase from Bacteroides fragilis.
Resolution	2.65 Å
Binding residue (original residue number in PDB)	H99 H101 H162
Binding residue (residue number reindexed from 1)	H77 H79 H140
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	H99 H101 D103 H162 S181 K184 N193 H223
Catalytic site (residue number reindexed from 1)	H77 H79 D81 H140 S159 K162 N171 H201
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

View graph for
Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:4znb, PDBe:4znb, PDBj:4znb
PDBsum	4znb
PubMed	10210203
UniProt	P25910\|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

[Back to BioLiP]