Structure of PDB 7uya Chain A Binding Site BS03

Receptor Information

>7uya Chain A (length=230) Species: 287 (Pseudomonas aeruginosa)

EYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELL
LIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGV
ATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHST
DNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYP
EAEVVIPGHGLPGGLDLLQHTANVVKAHKN

Ligand information

• Ligand ID: OKC
• InChI: InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24)
• InChIKey: JLWPVVFPXXZFHC-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(cc3)C4CCNCC4
  CACTVS 3.385: N[S](=O)(=O)c1cccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4
  ACDLabs 12.01: NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
• Formula: C18 H20 N6 O2 S
• Name: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
• PDB chain: 7uya Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7uya Inhibitor bound VIM1
• Resolution: 1.01 Å
• Binding residue (original residue number in PDB): F62 Y67 W87 H116 D118 H179 C198 S207 G209 N210 H240
• Binding residue (residue number reindexed from 1): F31 Y36 W56 H85 D87 H148 C167 S176 G178 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:7uya, PDBe:7uya, PDBj:7uya
• PDBsum: 7uya
• PubMed: 38387069
• UniProt: A0A0F7KYQ8