› 5j41

X-ray diffraction
1.19Å resolution

Glutathione S-transferase bound with hydrolyzed Piperlongumine

Released:
DOI: 10.2210/pdb5j41/pdb
PDB entry 5j41 coloured by chain, front view.
PDB entry 5j41 coloured by chain, side view.
PDB entry 5j41 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
Harshbarger W, Gondi S, Ficarro SB, Hunter J, Udayakumar D, Gurbani D, Singer WD, Liu Y, Li L, Marto JA, Westover KD
J Biol Chem 292 112-120 (2017)
PMID: 27872191

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: 209 amino acids
Theoretical weight: 23.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09211 (Residues: 2-210; Coverage: 100%)
Gene names: FAEES3, GST3, GSTP1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand GSH 2 x GSH
2 bound ligands:
Ligand 3LF 2 x 3LF
Ligand MES 2 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 78.495Å b: 89.458Å c: 69.001Å
α: 90° β: 98.235° γ: 90°
R-values:
R R work R free
0.164 0.163 0.186
Expression system: Escherichia coli

Quick links

Citations

14 review citations

Glutathione transferases: substrates, inihibitors and pro-drugs in cancer and neurodegenerative diseases.
Allocati et al. (2018)
13 more

9 mentions without citation

Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
Harshbarger et al. (2017)
8 more