5BQI
Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Prostaglandin E synthase | polymer | 154 | 17307.6 | 1 | UniProt (O14684) Pfam (PF01124) | Homo sapiens (Human) | Microsomal glutathione S-transferase 1-like 1,MGST1-L1,Microsomal prostaglandin E synthase 1,MPGES-1,p53-induced gene 12 protein |
| 2 | B (A) | 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide | non-polymer | 495.4 | 1 | Chemie (4UL) | |||
| 3 | C (A) | GLUTATHIONE | non-polymer | 307.3 | 1 | Chemie (GSH) | |||
| 4 | D, E (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
| 5 | F (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 6 | G (A) | (2-hydroxyethoxy)acetaldehyde | non-polymer | 104.1 | 1 | Chemie (1KA) | |||
| 7 | H (A) | water | water | 18.0 | 74 | Chemie (HOH) |
Sequence modifications
A: 2 - 152 (UniProt: O14684)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Ala 0 | - | expression tag |
| Leu 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17307.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1685.8 | |
| All* | Total formula weight | 18993.4 |
