› 5jcu

X-ray diffraction
1.93Å resolution

Crystal Structure of hGSTA1-1 with Glutathione Adduct of Phenethyl Isothiocyanate and Cystein Adduct of Phenethyl Isothiocyanate

Released:
DOI: 10.2210/pdb5jcu/pdb
PDB entry 5jcu coloured by chain, front view.
PDB entry 5jcu coloured by chain, side view.
PDB entry 5jcu 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-140083 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutathione S-transferase A1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 221 amino acids
Theoretical weight: 25.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08263 (Residues: 2-222; Coverage: 100%)
Gene name: GSTA1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand GVX 4 x GVX
1 bound ligand:
Ligand EDO 6 x EDO
1 modified residue:
Ligand 6M6 4 x 6M6

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2
Unit cell:
a: 100.335Å b: 92.666Å c: 104.051Å
α: 90° β: 92.18° γ: 90°
R-values:
R R work R free
0.178 0.177 0.24
Expression system: Escherichia coli BL21(DE3)

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Citations

6 review citations

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

3 mentions without citation

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