3EY4
Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | 11-beta-Hydroxysteroid Dehydrogenase 1 | polymer | 275 | 30486.4 | 4 | UniProt (P28845) Pfam (PF00106) | Homo sapiens (human) | Corticosteroid 11-beta-dehydrogenase isozyme 1, 11-beta-HSD1, 11-DH |
| 2 | E, G, I, K (A, B, C, D) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 4 | Chemie (NDP) | |||
| 3 | F, H, J, L (A, B, C, D) | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one | non-polymer | 310.4 | 4 | Chemie (352) |
Sequence modifications
A, B, C, D: 25 - 292 (UniProt: P28845)
| PDB | External Database | Details |
|---|---|---|
| Met 18 | - | expression tag |
| His 19 | - | expression tag |
| His 20 | - | expression tag |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
| His 24 | - | expression tag |
| Ser 272 | Cys 272 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 121945.7 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 4223.2 | |
| All* | Total formula weight | 126168.9 |
