Structure of PDB 7k9a Chain A Binding Site BS02

Receptor Information

>7k9a Chain A (length=299) Species: 208964 (Pseudomonas aeruginosa PAO1)

MIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFCRTDLDPVVEI
PARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEV
PIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFD
GFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYL
RSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLG
NSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRP

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 7k9a Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7k9a N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H78 H237 D241
• Binding residue (residue number reindexed from 1): H78 H237 D241
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.108: UDP-3-O-acyl-N-acetylglucosamine deacetylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0103117 UDP-3-O-acyl-N-acetylglucosamine deacetylase activity

Biological Process

• GO:0006796 phosphate-containing compound metabolic process
• GO:0009245 lipid A biosynthetic process
• GO:0019637 organophosphate metabolic process
• GO:1901135 carbohydrate derivative metabolic process

External links

• PDB: RCSB:7k9a, PDBe:7k9a, PDBj:7k9a
• PDBsum: 7k9a
• PubMed: 33160146
• UniProt: P47205|LPXC_PSEAE UDP-3-O-acyl-N-acetylglucosamine deacetylase (Gene Name=lpxC)