› 2r3x

X-ray diffraction
1.8Å resolution

Crystal structure of an R15L hGSTA1-1 mutant complexed with S-hexyl-glutathione

Released:
DOI: 10.2210/pdb2r3x/pdb
PDB entry 2r3x coloured by chain, front view.
PDB entry 2r3x coloured by chain, side view.
PDB entry 2r3x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Arginine 15 stabilizes an S(N)Ar reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1.
Gildenhuys S, Dobreva M, Kinsley N, Sayed Y, Burke J, Pelly S, Gordon GP, Sayed M, Sewell T, Dirr HW
Biophys Chem 146 118-25 (2010)
PMID: 19959275

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-140083 (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: 25.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08263 (Residues: 1-222; Coverage: 100%)
Gene name: GSTA1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand GTX 2 x GTX
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: C2
Unit cell:
a: 99.103Å b: 93.858Å c: 51.566Å
α: 90° β: 93.9° γ: 90°
R-values:
R R work R free
0.195 0.192 0.259
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Applications of isothermal titration calorimetry in pure and applied research--survey of the literature from 2010.
Ghai et al. (2012)
2 more

1 mention without citation

Crystal structures of leukotriene C4 synthase in complex with product analogs: implications for the enzyme mechanism.
Niegowski et al. (2014)