Crystal structure of mpges-1 bound to inhibitor

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 1% strand (DSSP).

Ligands and binding sites

• 7DN · 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid · ligand · chains A
• GSH · Glutathione · ligand · chains A
• JZR · hexyl beta-D-glucopyranoside · ligand · chains A
• PG4 · Tetraethylene glycol · additive · 2 copies · chains A
• BOG · octyl beta-D-glucopyranoside · additive · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

• 5TL9 · crystal structure of mPGES-1 bound to inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
• O14684 · AlphaFold monomer V2.0 prediction for prostaglandin E synthase (O14684) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O14684
• Elsewhere: RCSB PDB 5TL9 · PDBe 5TL9 · UniProt O14684