› 2wgr

X-ray diffraction
1.7Å resolution

Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase

Released:
DOI: 10.2210/pdb2wgr/pdb
PDB entry 2wgr coloured by chain, front view.
PDB entry 2wgr coloured by chain, side view.
PDB entry 2wgr coloured by chain, top view.
Source organism: Schistosoma mansoni
Primary publication:
Combining crystallography and molecular dynamics: the case of Schistosoma mansoni phospholipid glutathione peroxidase.
Dimastrogiovanni D, Anselmi M, Miele AE, Boumis G, Petersson L, Angelucci F, Nola AD, Brunori M, Bellelli A
Proteins 78 259-70 (2010)
PMID: 19714775

Function and Biology Details

Reaction catalysed: 
2 glutathione + H(2)O(2) = glutathione disulfide + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169406 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutathione peroxidase Chain: A
Molecule details ›
Chain: A
Length: 169 amino acids
Theoretical weight: 19.44 KDa
Source organism: Schistosoma mansoni
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q00277 (Residues: 1-169; Coverage: 100%)
Gene name: GPX1
Sequence domains: Glutathione peroxidase
Structure domains: Glutaredoxin

Ligands and Environments

1 bound ligand:
Ligand POP 1 x POP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 39.913Å b: 51.17Å c: 90.622Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.211
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

The redox biology of schistosome parasites and applications for drug development.
Huang et al. (2012)
4 more