› 5jcw

X-ray diffraction
1.94Å resolution

Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate

Released:
DOI: 10.2210/pdb5jcw/pdb
PDB entry 5jcw coloured by chain, front view.
PDB entry 5jcw coloured by chain, side view.
PDB entry 5jcw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Kumari V, Dyba MA, Holland RJ, Liang YH, Singh SV, Ji X
PLoS One 11 e0163821
PMID: 27684484

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 BL21(DE3)
UniProt:
  • Canonical: P09211 (Residues: 1-210; Coverage: 100%)
Gene names: FAEES3, GST3, GSTP1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand GVX 2 x GVX

Cofactor: Ligand GSH 1 x GSH
3 bound ligands:
Ligand MPD 2 x MPD
Ligand ACT 2 x ACT
Ligand CA 8 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2
Unit cell:
a: 78.365Å b: 88.943Å c: 69.483Å
α: 90° β: 97.85° γ: 90°
R-values:
R R work R free
0.155 0.154 0.193
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Metabolic Plasticity of Melanoma Cells and Their Crosstalk With Tumor Microenvironment.
Avagliano et al. (2020)
5 more

2 mentions without citation

Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Kumari et al. (2016)
1 more