› 3dgq

X-ray diffraction
1.6Å resolution

Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta

Released:
DOI: 10.2210/pdb3dgq/pdb
PDB entry 3dgq coloured by chain, front view.
PDB entry 3dgq coloured by chain, side view.
PDB entry 3dgq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Rational design of an organometallic glutathione transferase inhibitor.
Ang WH, Parker LJ, De Luca A, Juillerat-Jeanneret L, Morton CJ, Lo Bello M, Parker MW, Dyson PJ
Angew Chem Int Ed Engl 48 3854-7 (2009)
PMID: 19396894

Function and Biology Details

Reaction catalysed: 
RX + glutathione = HX + R-S-glutathione
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140593 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutathione S-transferase P Chains: A, B
Molecule details ›
Chains: A, B
Length: 210 amino acids
Theoretical weight: 23.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09211 (Residues: 1-210; Coverage: 100%)
Gene names: FAEES3, GST3, GSTP1
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand CL 2 x CL
Ligand EAA 1 x EAA
Ligand MES 2 x MES
Ligand CA 1 x CA
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: C2
Unit cell:
a: 77.93Å b: 90.33Å c: 68.96Å
α: 90° β: 98.88° γ: 90°
R-values:
R R work R free
0.196 0.195 0.227
Expression system: Escherichia coli

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Citations

1 review citation

Supramolecular interactions between functional metal complexes and proteins.
Davies et al. (2009)
49 other articles