5TL9
crystal structure of mPGES-1 bound to inhibitor
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 | 17323.6 | 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-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid | non-polymer | 485.6 | 1 | Chemie (7DN) PubChem (124219480) | |||
| 3 | C (A) | GLUTATHIONE | non-polymer | 307.3 | 1 | Chemie (GSH) PubChem (745) PubChem (54289881) PubChem (59012062) PubChem (124886) PubChem (445616) PubChem (448041) PubChem (9839547) PubChem (10924820) PubChem (15559593) | |||
| 4 | D (A) | hexyl beta-D-glucopyranoside | non-polymer | 264.3 | 1 | Chemie (JZR) PubChem (17753866) PubChem (25323117) PubChem (26470594) PubChem (67411650) PubChem (67413670) PubChem (69135463) PubChem (171355) PubChem (57031297) PubChem (67409435) PubChem (67410024) PubChem (67410681) PubChem (67410683) PubChem (67411125) PubChem (67412168) PubChem (67412175) PubChem (69572815) PubChem (69647610) PubChem (71317242) PubChem (92223463) PubChem (95162434) PubChem (95162435) PubChem (101527252) PubChem (118908285) PubChem (118908318) PubChem (181215) PubChem (447027) PubChem (4462283) PubChem (11288533) PubChem (12986433) PubChem (14656368) PubChem (174070873) | |||
| 5 | E (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 1 | Chemie (BOG) | |||
| 6 | F, G (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) PubChem (8200) | |||
| 7 | H (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) PubChem (8117) | |||
| 8 | I (A) | water | water | 18.0 | 137 | 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 | 17323.6 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1844.2 | |
| All* | Total formula weight | 19167.8 |
