Discovery of a potent and selective mpges-1 inhibitor for the treatment of pain

Structure

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

Ligands and binding sites

• 4UK · N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl) amino]methyl}benzamide · ligand · chains A
• GSH · Glutathione · ligand · chains A
• 1KA · (2-hydroxyethoxy)acetaldehyde · ligand · chains A
• BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A
• PG4 · Tetraethylene glycol · additive · chains A

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

Compared structures

• 5BQH · Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain · 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 5BQH · PDBe 5BQH · UniProt O14684