› 1xxe

Solution NMR

RDC refined solution structure of the AaLpxC/TU-514 complex

Released:
DOI: 10.2210/pdb1xxe/pdb
PDB entry 1xxe coloured by chain, ensemble of 25 models, front view.
PDB entry 1xxe coloured by chain, ensemble of 25 models, side view.
PDB entry 1xxe coloured by chain, ensemble of 25 models, top view.
Source organism: Aquifex aeolicus
Primary publication:
Refined solution structure of the LpxC-TU-514 complex and pKa analysis of an active site histidine: insights into the mechanism and inhibitor design.
Coggins BE, McClerren AL, Jiang L, Li X, Rudolph J, Hindsgaul O, Raetz CR, Zhou P
Biochemistry 44 1114-26 (2005)
PMID: 15667205

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 domain:

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 Chain: A
Molecule details ›
Chain: A
Length: 282 amino acids
Theoretical weight: 32.19 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli
UniProt:
  • Canonical: O67648 (Residues: 1-282; Coverage: 100%)
Gene names: aq_1772, envA, lpxC
Sequence domains: UDP-3-O-acyl N-acetylglycosamine deacetylase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Refinement method: simulated annealing
Expression system: Escherichia coli

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Citations

4 review citations

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

4 mentions without citation

Mechanism and inhibition of LpxC: an essential zinc-dependent deacetylase of bacterial lipid A synthesis.
Barb et al. (2008)
3 more