Structure of PDB 7yhb Chain A Binding Site BS03

Receptor Information

>7yhb Chain A (length=231) Species: 287 (Pseudomonas aeruginosa)

EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELL
LIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGV
ATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHST
DNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYP
EAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR

Ligand information

• Ligand ID: ITV
• InChI: InChI=1S/C15H14N3O3P/c19-22(20,21)11-13-8-4-5-9-15(13)18-10-14(16-17-18)12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,20,21)
• InChIKey: XWMIAAPWEKOACK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: c1ccc(cc1)c2cn(nn2)c3ccccc3CP(=O)(O)O
  CACTVS 3.385: O[P](O)(=O)Cc1ccccc1n2cc(nn2)c3ccccc3
• Formula: C15 H14 N3 O3 P
• Name: [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid
• PDB chain: 7yhb Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7yhb Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
• Resolution: 1.43 Å
• Binding residue (original residue number in PDB): F62 W87 H179 C198 R205 N210 H240
• Binding residue (residue number reindexed from 1): F31 W56 H148 C167 R174 N179 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

External links

• PDB: RCSB:7yhb, PDBe:7yhb, PDBj:7yhb
• PDBsum: 7yhb
• PubMed: 37209449
• UniProt: Q9K2N0