Structure of PDB 6ih0 Chain A Binding Site BS02

Receptor Information

>6ih0 Chain A (length=267) Species: 224324 (Aquifex aeolicus VF5)

GLEKTVKEKLSFEGVGIHTGEYSKLIIHPEKEGTGIRFFKNGVYIPARHE
FVVHTNHSTDLGFKGQRIKTVEHILSVLHLLEITNVTIEVIGNEIPILDG
SGWEFYEAIRKNILNQNREIDYFVVEEPIIVEDEGRLIKAEPSDTLEVTY
EGEFKNFLGRQKFTFVEGNEEEIVLARTFAFDWEIEHIKKVGLGKGGSLK
NTLVLGKDKVYNPEGLRYENEPVRHKVFDLIGDLYLLGSPVKGKFYSFRG
GHSLNVKLVKELAKKQK

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: 6ih0 Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ih0 The Complex Structure of Protein AaLpxC from Aquifex aeolicus with ACHN-975 Molecule Suggests an Inhibitory Mechanism at Atomic-Level against Gram-Negative Bacteria
• Resolution: 1.21 Å
• Binding residue (original residue number in PDB): H74 H226 D230
• Binding residue (residue number reindexed from 1): H73 H225 D229
• 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:6ih0, PDBe:6ih0, PDBj:6ih0
• PDBsum: 6ih0
• UniProt: O67648|LPXC_AQUAE UDP-3-O-acyl-N-acetylglucosamine deacetylase (Gene Name=lpxC)