X-ray diffraction
2.8Å resolution

Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole

Entry authors: Bryson S, De Gasparo R, Krauth-Siegel RL, Diederich F, Pai EF

Function and Biology Details

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Trypanothione reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 495 amino acids
Theoretical weight: 53.5 KDa
Source organism: Trypanosoma brucei brucei TREU927
Expression system: Escherichia coli
  • Canonical: Q389T8 (Residues: 1-492; Coverage: 100%)
Gene name: Tb10.406.0520
Sequence domains:
Structure domains:

Ligands and Environments

Cofactor: Ligand FAD 2 x FAD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P43212
Unit cell:
a: 117.664Å b: 117.664Å c: 225.163Å
α: 90° β: 90° γ: 90°
R R work R free
0.198 0.196 0.236
Expression system: Escherichia coli