› 6pnn

X-ray diffraction
2.1Å resolution

Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide

Released:
DOI: 10.2210/pdb6pnn/pdb
PDB entry 6pnn coloured by chain, front view.
PDB entry 6pnn coloured by chain, side view.
PDB entry 6pnn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
Xie Y, Tummala P, Oakley AJ, Deora GS, Nakano Y, Rooke M, Cuellar ME, Strasser JM, Dahlin JL, Walters MA, Casarotto MG, Board PG, Baell JB
J Med Chem 63 2894-2914 (2020)
PMID: 32105470

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 Chain: A
Molecule details ›
Chain: A
Length: 240 amino acids
Theoretical weight: 27.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P78417 (Residues: 2-241; Coverage: 100%)
Gene names: GSTO1, GSTTLP28
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 2 x SO4
Ligand TLA 1 x TLA
Ligand OR7 1 x OR7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P3121
Unit cell:
a: 57.16Å b: 57.16Å c: 139.66Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.168 0.21
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

An update on the regulatory mechanisms of NLRP3 inflammasome activation.
Paik et al. (2021)
2 more

2 mentions without citation

The Inhibition Effect of the Seaweed Polyphenol, 7-Phloro-Eckol from Ecklonia Cava on Alcohol-Induced Oxidative Stress in HepG2/CYP2E1 Cells.
Lin et al. (2021)
1 more