› 3dd3

X-ray diffraction
2.25Å resolution

Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta

Released:
DOI: 10.2210/pdb3dd3/pdb
PDB entry 3dd3 coloured by chain, front view.
PDB entry 3dd3 coloured by chain, side view.
PDB entry 3dd3 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


Cofactor: Ligand GSH 2 x GSH
2 bound ligands:
Ligand MES 2 x MES
Ligand RUC 1 x RUC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: C2
Unit cell:
a: 76.69Å b: 89.54Å c: 68.99Å
α: 90° β: 97.81° γ: 90°
R-values:
R R work R free
0.24 0.2 0.26
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