› 6hn3

X-ray diffraction
1.01Å resolution

wildtype form (apo) of human GPX4 with Se-Cys46

Released:
DOI: 10.2210/pdb6hn3/pdb
PDB entry 6hn3 coloured by chain, front view.
PDB entry 6hn3 coloured by chain, side view.
PDB entry 6hn3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Moosmayer D, Hilpmann A, Hoffmann J, Schnirch L, Zimmermann K, Badock V, Furst L, Eaton JK, Viswanathan VS, Schreiber SL, Gradl S, Hillig RC
Acta Crystallogr D Struct Biol 77 237-248 (2021)
PMID: 33559612

Function and Biology Details

Reactions catalysed: 
2 glutathione + a hydroperoxy-fatty-acyl-[lipid] = glutathione disulfide + a hydroxy-fatty-acyl-[lipid] + H(2)O
2 glutathione + H(2)O(2) = glutathione disulfide + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153272 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phospholipid hydroperoxide glutathione peroxidase GPX4 Chain: A
Molecule details ›
Chain: A
Length: 176 amino acids
Theoretical weight: 20.38 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P36969 (Residues: 28-197; Coverage: 86%)
Gene name: GPX4
Sequence domains: Glutathione peroxidase

Ligands and Environments

3 bound ligands:
Ligand CL 2 x CL
Ligand EOH 2 x EOH
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P1
Unit cell:
a: 32.76Å b: 35.19Å c: 37.82Å
α: 103.18° β: 112.33° γ: 91.76°
R-values:
R R work R free
0.115 0.114 0.137
Expression system: Homo sapiens

Quick links

Citations

16 review citations

A Promising Future of Ferroptosis in Tumor Therapy.
Wang et al. (2021)
15 more

5 mentions without citation

The Selenoprotein Glutathione Peroxidase 4: From Molecular Mechanisms to Novel Therapeutic Opportunities.
Weaver et al. (2022)
4 more