› 4yqv

X-ray diffraction
2.06Å resolution

Glutathione S-transferase Omega 1 bound to covalent inhibitor C4-10

Released:
DOI: 10.2210/pdb4yqv/pdb
PDB entry 4yqv coloured by chain, front view.
PDB entry 4yqv coloured by chain, side view.
PDB entry 4yqv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Ramkumar K, Samanta S, Kyani A, Yang S, Tamura S, Ziemke E, Stuckey JA, Li S, Chinnaswamy K, Otake H, Debnath B, Yarovenko V, Sebolt-Leopold JS, Ljungman M, Neamati N
Nat Commun 7 13084 (2016)
PMID: 27703239

Function and Biology Details

Reactions catalysed: 
Methylarsonate + 2 glutathione = methylarsonite + glutathione disulfide + H(2)O
2 glutathione + dehydroascorbate = glutathione disulfide + ascorbate
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-160265 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutathione S-transferase omega-1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 244 amino acids
Theoretical weight: 27.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P78417 (Residues: 1-241; Coverage: 100%)
Gene names: GSTO1, GSTTLP28
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 4GG 3 x 4GG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: C2
Unit cell:
a: 186.32Å b: 71.373Å c: 61.968Å
α: 90° β: 105.16° γ: 90°
R-values:
R R work R free
0.196 0.195 0.22
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Glutathione Transferases: Potential Targets to Overcome Chemoresistance in Solid Tumors.
Pljesa-Ercegovac et al. (2018)
3 more

3 mentions without citation

"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
Mortenson et al. (2018)
2 more