Structure of PDB 1a8t Chain A Binding Site BS02
Receptor Information
>1a8t Chain A (length=230) Species:
817
(Bacteroides fragilis) [
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AQKSVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVINNHQAAL
LDTPINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQ
SYANQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNI
VVWLPTENILFGGCMLKDNQTTSIGNISDADVTAWPKTLDKVKAKFPSAR
YVVPGHGNYGGTELIEHTKQIVNQYIESTS
Ligand information
Ligand ID
ZN
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
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
1a8t Chain A Residue 252 [
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Receptor-Ligand Complex Structure
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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)
D86 H206
Binding residue
(residue number reindexed from 1)
D86 H206
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)
H82 H84 D86 H145 C164 K167 N176 H206
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: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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