› 5dro

X-ray diffraction
2.01Å resolution

Structure of the Aquifex aeolicus LpxC/LPC-011 Complex

Released:
DOI: 10.2210/pdb5dro/pdb
PDB entry 5dro coloured by chain, front view.
PDB entry 5dro coloured by chain, side view.
PDB entry 5dro coloured by chain, top view.
Source organism: Aquifex aeolicus VF5
Primary publication:
Drug design from the cryptic inhibitor envelope.
Lee CJ, Liang X, Wu Q, Najeeb J, Zhao J, Gopalaswamy R, Titecat M, Sebbane F, Lemaitre N, Toone EJ, Zhou P
Nat Commun 7 10638 (2016)
PMID: 26912110

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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
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: 274 amino acids
Theoretical weight: 31.31 KDa
Source organism: Aquifex aeolicus VF5
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O67648 (Residues: 1-274; Coverage: 97%)
Gene names: aq_1772, envA, lpxC
Sequence domains: UDP-3-O-acyl N-acetylglycosamine deacetylase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand ZN 2 x ZN
Ligand ZH2 2 x ZH2
Ligand DMS 2 x DMS
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 54.82Å b: 74.68Å c: 135.87Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 0.156 0.186
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

The Power of Asymmetry: Architecture and Assembly of the Gram-Negative Outer Membrane Lipid Bilayer.
Henderson et al. (2016)
5 more

3 mentions without citation

Drug design from the cryptic inhibitor envelope.
Lee et al. (2016)
2 more