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› 8pll

X-ray diffraction
1.85Å resolution

Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 22.

Released:
DOI: 10.2210/pdb8pll/pdb
Model geometry
Fit model/data
PDB entry 8pll coloured by chain, front view.
PDB entry 8pll coloured by chain, side view.
PDB entry 8pll coloured by chain, top view.
Source organism: Schistosoma mansoni
Primary publication:
Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
de Souza Neto LR, Montoya BO, Brandão-Neto J, Verma A, Bowyer S, Moreira-Filho JT, Dantas RF, Neves BJ, Andrade CH, von Delft F, Owens RJ, Furnham N, Silva-Jr FP
OpenAccess logo Sci Rep 14 1582 (2024)
PMID: 38238498

Function and Biology Details

Reaction catalysed: 
[thioredoxin]-dithiol + NADP(+) = [thioredoxin]-disulfide + NADPH + H(+).
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188301 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
thioredoxin-disulfide reductase Chain: A
Molecule details ›
Chain: A
Length: 597 amino acids
Theoretical weight: 64.92 KDa
Source organism: Schistosoma mansoni
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q962Y6 (Residues: 2-596; Coverage: 100%)
Gene name: TGR
Sequence domains:

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD
1 bound ligand:
Ligand AYV 1 x AYV
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 145.18Å b: 103.63Å c: 59.61Å
α: 90° β: 113.08° γ: 90°
R-values:
R R work R free
0.212 0.211 0.238
Expression system: Spodoptera frugiperda

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