5BQI: Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain

PDB ID: 5BQIDownload
MMDB ID: 138342
PDB Deposition Date: 2015/5/29
Updated in MMDB: 2016/04
Experimental Method:
x-ray diffraction
Resolution: 1.88  Å
Source Organism:
Similar Structures:
Biological Unit for 5BQI: trimeric; determined by author and by software (PISA)
Molecular Components in 5BQI
Label Count Molecule
Proteins (3 molecules)
3
Prostaglandin E Synthase
(Gene symbol: PTGES)
Molecule annotation
Chemicals and Non-standard biopolymers (18 molecules)
1
3
2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide
2
3
GLUTATHIONEGLUTATHIONE
3
6
octyl beta-D-glucopyranosideoctyl beta-D-glucopyranoside
4
3
TETRAETHYLENE GLYCOLTETRAETHYLENE GLYCOL
5
3
(2-hydroxyethoxy)acetaldehyde(2-hydroxyethoxy)acetaldehyde
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303