Structure of PDB 4oze Chain A Binding Site BS02

Receptor Information

>4oze Chain A (length=266) Species: 63363 (Aquifex aeolicus)

GLEKTVKEKLSFEGVGIHTGEYSKLIIHPEKEGTGIRFFKNGVYIPARHE
FVVHTNHSTDLGFKGQRIKTVEHILSVLHLLEITNVTIEVIGNEIPILDG
SGWEFYEAIRKNILNQNREIDYFVVEEPIIVEDEGRLIKAEPSDTLEVTY
EGEFKNFLGRQKFTFVEGNEEEIVLARTFCFDWEIEHIKKVGLGKGGSLK
NTLVLGKDKVYNPEGLRYENEPVRHKVFDLIGDLYLLGSPVKGKFYSFRG
GHSLNVKLVKELAKKQ

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: 4oze Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4oze Mechanistic insight from the crystal structure of A.aolicus LpxC in the presence of product
• Resolution: 1.61 Å
• Binding residue (original residue number in PDB): H58 H188
• Binding residue (residue number reindexed from 1): H57 H187
• 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:4oze, PDBe:4oze, PDBj:4oze
• PDBsum: 4oze
• UniProt: O67648|LPXC_AQUAE UDP-3-O-acyl-N-acetylglucosamine deacetylase (Gene Name=lpxC)