› 6gxy

X-ray diffraction
1.8Å resolution

Tryparedoxin from Trypanosoma brucei in complex with CFT

Released:
DOI: 10.2210/pdb6gxy/pdb
PDB entry 6gxy coloured by chain, front view.
PDB entry 6gxy coloured by chain, side view.
PDB entry 6gxy coloured by chain, top view.
Source organism: Trypanosoma brucei brucei
Primary publication:
Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
Angew Chem Int Ed Engl 58 3640-3644 (2019)
PMID: 30605929

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131265 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tryparedoxin Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 146 amino acids
Theoretical weight: 16.02 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: O77404 (Residues: 2-144; Coverage: 99%)
Sequence domains: Thioredoxin-like
Structure domains: Glutaredoxin

Ligands and Environments

1 bound ligand:
Ligand FFN 3 x FFN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21
Unit cell:
a: 39.63Å b: 96.009Å c: 48.276Å
α: 90° β: 96.57° γ: 90°
R-values:
R R work R free
0.168 0.165 0.212
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Recent Advances in Selective and Irreversible Covalent Ligand Development and Validation.
Zhang et al. (2019)
2 more

1 mention without citation

Predicting 19 F NMR Chemical Shifts: A Combined Computational and Experimental Study of a Trypanosomal Oxidoreductase-Inhibitor Complex.
Dietschreit et al. (2020)