› 5bqi

X-ray diffraction
1.88Å resolution

Function and Biology Details

Reactions catalysed: 
RX + glutathione = HX + R-S-glutathione
(5Z,13E)-(15S)-9-alpha,11-alpha-epidioxy-15-hydroxyprosta-5,13-dienoate = (5Z,13E)-(15S)-11-alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127054 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prostaglandin E synthase Chain: A
Molecule details ›
Chain: A
Length: 154 amino acids
Theoretical weight: 17.31 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O14684 (Residues: 2-152; Coverage: 99%)
Gene names: MGST1L1, MPGES1, PGES, PIG12, PTGES
Sequence domains: MAPEG family
Structure domains: Membrane associated eicosanoid/glutathione metabolism-like domain

Ligands and Environments


Cofactor: Ligand GSH 1 x GSH
4 bound ligands:
Ligand 4UL 1 x 4UL
Ligand BOG 2 x BOG
Ligand PG4 1 x PG4
Ligand 1KA 1 x 1KA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: R3
Unit cell:
a: 76.335Å b: 76.335Å c: 123.561Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.165 0.165 0.181
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Nonsteroidal Anti-Inflammatory Therapy: A Journey Toward Safety.
Pereira-Leite et al. (2017)
2 more

1 mention without citation

Discovery of 3-hydroxy-3-pyrrolin-2-one-based mPGES-1 inhibitors using a multi-step virtual screening protocol.
Lauro et al. (2018)