› 1vrw

X-ray diffraction
2.4Å resolution

Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh

Released:
DOI: 10.2210/pdb1vrw/pdb
PDB entry 1vrw coloured by chain, front view.
PDB entry 1vrw coloured by chain, side view.
PDB entry 1vrw coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductase.
Perozzo R, Kuo M, Sidhu Ab, Valiyaveettil JT, Bittman R, Jacobs WR, Fidock DA, Sacchettini JC
J Biol Chem 277 13106-14 (2002)
PMID: 11792710

Function and Biology Details

Reaction catalysed: 
An acyl-[acyl-carrier protein] + NAD(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-189624 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-acyl carrier reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 336 amino acids
Theoretical weight: 38.1 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9BH77 (Residues: 97-432; Coverage: 82%)
Gene name: FabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAI 2 x NAI
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P43212
Unit cell:
a: 133.28Å b: 133.28Å c: 83.828Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.176 0.224
Expression system: Escherichia coli

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Citations

24 review citations

The structural biology of type II fatty acid biosynthesis.
White et al. (2005)
23 more

5 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
4 more