› 1f3b

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GLUTATHIONE CONJUGATE OF BENZO[A]PYRENE EPOXIDE

Released:
DOI: 10.2210/pdb1f3b/pdb
PDB entry 1f3b coloured by chain, front view.
PDB entry 1f3b coloured by chain, side view.
PDB entry 1f3b coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Residue R216 and catalytic efficiency of a murine class alpha glutathione S-transferase toward benzo[a]pyrene 7(R),8(S)-diol 9(S), 10(R)-epoxide.
Gu Y, Singh SV, Ji X
Biochemistry 39 12552-7 (2000)
PMID: 11027134

Function and Biology Details

Reaction catalysed: 
RX + glutathione = HX + R-S-glutathione
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-146742 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutathione S-transferase A1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 222 amino acids
Theoretical weight: 25.53 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P13745 (Residues: 2-223; Coverage: 100%)
Gene names: Gsta, Gsta1, Gstya
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand GBX 2 x GBX
No bound ligands
1 modified residue:
Ligand CSO 2 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X9B
Spacegroup: C2
Unit cell:
a: 99.303Å b: 93.637Å c: 52.217Å
α: 90° β: 91.8° γ: 90°
R-values:
R R work R free
0.176 0.176 0.234
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Glutathione transferases: a structural perspective.
Oakley A. (2011)
1 more

1 mention without citation

Prediction of substrates for glutathione transferases by covalent docking.
Dong et al. (2014)