Structure of PDB 8hxv Chain B Binding Site BS03

Receptor Information
>8hxv Chain B (length=231) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELL
LIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGV
ATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHST
DNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYP
EAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR
Ligand information
Ligand ID5ZD
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-5-6-7-8(9(13)14)12-10(11)15-7/h2-6H2,1H3,(H2,11,12)(H,13,14)
InChIKeyFECUATPHGPYTQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCc1sc(N)nc1C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCc1c(nc(s1)N)C(=O)O
FormulaC10 H16 N2 O2 S
Name2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8hxv Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8hxv Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
Resolution2.603 Å
Binding residue
(original residue number in PDB)		Y67 W87 D118 H179 C198 R205 H240
Binding residue
(residue number reindexed from 1)		Y36 W56 D87 H148 C167 R174 H209
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:8hxv, PDBe:8hxv, PDBj:8hxv
PDBsum8hxv
PubMed37791640
UniProtQ9K2N0

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