Structure of PDB 8hxo Chain B Binding Site BS02
Receptor Information
>8hxo Chain B (length=231) Species:
287
(Pseudomonas aeruginosa) [
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EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELL
LIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGV
ATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHST
DNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYP
EAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR
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
8hxo Chain B Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
8hxo
Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
Resolution
1.902 Å
Binding residue
(original residue number in PDB)
D118 H240
Binding residue
(residue number reindexed from 1)
D87 H209
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.5.2.6
: beta-lactamase.
Gene Ontology
Molecular Function
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
Biological Process
GO:0017001
antibiotic catabolic process
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:8hxo
,
PDBe:8hxo
,
PDBj:8hxo
PDBsum
8hxo
PubMed
37791640
UniProt
Q9K2N0
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