› 2go4

X-ray diffraction
2.7Å resolution

Crystal structure of Aquifex aeolicus LpxC complexed with TU-514

Released:
DOI: 10.2210/pdb2go4/pdb
Model geometry
Fit model/data
PDB entry 2go4 coloured by chain, front view.
PDB entry 2go4 coloured by chain, side view.
PDB entry 2go4 coloured by chain, top view.
Source organism: Aquifex aeolicus
Primary publication:
Mechanistic inferences from the binding of ligands to LpxC, a metal-dependent deacetylase.
Gennadios HA, Whittington DA, Li X, Fierke CA, Christianson DW
Biochemistry 45 7940-8 (2006)
PMID: 16800620

Function and Biology Details

Reaction catalysed: 
UDP-3-O-((3R)-3-hydroxyacyl)-N-acetyl-alpha-D-glucosamine + H(2)O = UDP-3-O-((3R)-3-hydroxyacyl)-alpha-D-glucosamine + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-130526 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-3-O-acyl-N-acetylglucosamine deacetylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 267 amino acids
Theoretical weight: 30.49 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli
UniProt:
  • Canonical: O67648 (Residues: 1-267; Coverage: 95%)
Gene names: aq_1772, envA, lpxC
Sequence domains: UDP-3-O-acyl N-acetylglycosamine deacetylase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 5 x ZN
Ligand CL 1 x CL
Ligand TUX 2 x TUX
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: CHESS BEAMLINE F1
Spacegroup: P61
Unit cell:
a: 100.729Å b: 100.729Å c: 121.299Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.21 0.241
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Lipid A modification systems in gram-negative bacteria.
Raetz et al. (2007)
2 more

4 mentions without citation

Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Lee et al. (2011)
3 more