› 2o2s

X-ray diffraction
2.6Å resolution

The structure of T. gondii enoyl acyl carrier protein reductase in complex with NAD and triclosan

Released:
DOI: 10.2210/pdb2o2s/pdb
PDB entry 2o2s coloured by chain, front view.
PDB entry 2o2s coloured by chain, side view.
PDB entry 2o2s coloured by chain, top view.
Source organism: Toxoplasma gondii RH
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
OpenAccess logo 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 analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180409 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-acyl carrier reductase ENR Chains: A, B
Molecule details ›
Chains: A, B
Length: 315 amino acids
Theoretical weight: 33.39 KDa
Source organism: Toxoplasma gondii RH
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6UCJ9 (Residues: 103-417; Coverage: 81%)
Gene names: ENR, TGRH88_064800
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
1 bound ligand:
Ligand TCL 2 x TCL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P3221
Unit cell:
a: 78.075Å b: 78.075Å c: 187.955Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.208 0.205 0.267
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

12 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)
11 more