› 2w0h

X-ray diffraction
3Å resolution

X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH

Released:
DOI: 10.2210/pdb2w0h/pdb
PDB entry 2w0h coloured by chain, front view.
PDB entry 2w0h coloured by chain, side view.
PDB entry 2w0h coloured by chain, top view.
Source organism: Leishmania infantum
Primary publication:
Molecular basis of antimony treatment in leishmaniasis.
Baiocco P, Colotti G, Franceschini S, Ilari A
J Med Chem 52 2603-12 (2009)
PMID: 19317451

Function and Biology Details

Reaction catalysed: 
Trypanothione + NADP(+) = trypanothione disulfide + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107319 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Trypanothione reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 511 amino acids
Theoretical weight: 55.26 KDa
Source organism: Leishmania infantum
Expression system: Escherichia coli
UniProt:
  • Canonical: A4HSF7 (Residues: 1-491; Coverage: 100%)
Gene names: LINJ_05_0350, TRYR
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD

Cofactor: Ligand NDP 2 x NDP
2 bound ligands:
Ligand SB 2 x SB
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P41
Unit cell:
a: 102.945Å b: 102.945Å c: 193.129Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.238 0.262
Expression system: Escherichia coli

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Citations

22 review citations

Pentavalent antimonials: new perspectives for old drugs.
Frézard et al. (2009)
21 more

9 mentions without citation

Thioredoxin reductase and its inhibitors.
Saccoccia et al. (2014)
8 more