› 2o2y

X-ray diffraction
2.2Å resolution

The crystal structure of P. falciparum enoyl acyl carrier protein reductase

Released:
DOI: 10.2210/pdb2o2y/pdb
PDB entry 2o2y coloured by chain, front view.
PDB entry 2o2y coloured by chain, side view.
PDB entry 2o2y coloured by chain, top view.
Source organism: Plasmodium falciparum 3D7
Primary publication:
Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents.
Muench SP, Prigge ST, McLeod R, Rafferty JB, Kirisits MJ, Roberts CW, Mui EJ, Rice DW
Acta Crystallogr D Biol Crystallogr 63 328-38 (2007)
PMID: 17327670

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

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189626 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-acyl carrier reductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 349 amino acids
Theoretical weight: 39.63 KDa
Source organism: Plasmodium falciparum 3D7
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9BH77 (Residues: 84-432; Coverage: 85%)
Gene name: FabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
3 bound ligands:
Ligand CL 4 x CL
Ligand TCL 4 x TCL
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.1
Spacegroup: P21
Unit cell:
a: 88.184Å b: 82.368Å c: 94.824Å
α: 90° β: 90.77° γ: 90°
R-values:
R R work R free
0.202 0.2 0.246
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Make it or take it: fatty acid metabolism of apicomplexan parasites.
Mazumdar et al. (2007)
3 more

6 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)
5 more