Structure of PDB 8b1w Chain A Binding Site BS03

Receptor Information
>8b1w Chain A (length=231) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVV
DTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIAT
YANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGH
TSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAA
FPKASMIVMSHSAPDSRAAITHTARMADKLR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8b1w Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8b1w Structural characterization of triazole-based inhibitors of metallo-beta-lactamases
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E152 D223
Binding residue
(residue number reindexed from 1)		E113 D184
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8b1w, PDBe:8b1w, PDBj:8b1w
PDBsum8b1w
PubMed38139809
UniProtF6IAY7

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