› 1bwc

X-ray diffraction
2.1Å resolution

STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED with AJOENE INHIBITOR AND SUBVERSIVE SUBSTRATE

Released:
DOI: 10.2210/pdb1bwc/pdb
PDB entry 1bwc coloured by chain, front view.
PDB entry 1bwc coloured by chain, side view.
PDB entry 1bwc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ajoene is an inhibitor and subversive substrate of human glutathione reductase and Trypanosoma cruzi trypanothione reductase: crystallographic, kinetic, and spectroscopic studies.
Gallwitz H, Bonse S, Martinez-Cruz A, Schlichting I, Schumacher K, Krauth-Siegel RL
J Med Chem 42 364-72 (1999)
PMID: 9986706

Function and Biology Details

Reaction catalysed: 
2 glutathione + NADP(+) = glutathione 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-132462 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutathione reductase, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 478 amino acids
Theoretical weight: 51.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00390 (Residues: 45-522; Coverage: 92%)
Gene names: GLUR, GRD1, GSR
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD
2 bound ligands:
Ligand CL 1 x CL
Ligand AJ3 1 x AJ3
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: C2221
Unit cell:
a: 64.3Å b: 146.9Å c: 128.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.18 0.23
Expression system: Escherichia coli

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Citations

18 review citations

Garlic as an antioxidant: the good, the bad and the ugly.
Banerjee et al. (2003)
17 more

9 mentions without citation

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