› 1bzl

X-ray diffraction
2.4Å resolution

CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-BASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS

Released:
DOI: 10.2210/pdb1bzl/pdb
PDB entry 1bzl coloured by chain, front view.
PDB entry 1bzl coloured by chain, side view.
PDB entry 1bzl coloured by chain, top view.
Source organism: Trypanosoma cruzi
Primary publication:
Crystal structure of Trypanosoma cruzi trypanothione reductase in complex with trypanothione, and the structure-based discovery of new natural product inhibitors.
Bond CS, Zhang Y, Berriman M, Cunningham ML, Fairlamb AH, Hunter WN
Structure 7 81-9 (1999)
PMID: 10368274

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151248 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Trypanothione reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 486 amino acids
Theoretical weight: 53.31 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli
UniProt:
  • Canonical: P28593 (Residues: 2-487; Coverage: 99%)
Gene name: TPR
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
1 bound ligand:
Ligand GCG 2 x GCG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P43
Unit cell:
a: 93.33Å b: 93.33Å c: 157.14Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.209 not available
Expression system: Escherichia coli

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Citations

24 review citations

Peroxiredoxins.
Hofmann et al. (2002)
23 more

12 mentions without citation

Current and potential applications of bismuth-based drugs.
Keogan et al. (2014)
11 more