3PDJ
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | polymer | 273 | 30107.0 | 2 | UniProt (P28845) Pfam (PF00106) | Homo sapiens (human) | 11-beta-hydroxysteroid dehydrogenase 1, 11-DH, 11-beta-HSD1 |
| 2 | C, E (A, B) | N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | non-polymer | 502.6 | 2 | Chemie (3PJ) | |||
| 3 | D, F (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 292 (UniProt: P28845)
| PDB | External Database | Details |
|---|---|---|
| Gln 20 | - | expression tag |
| Gln 21 | - | expression tag |
| Pro 22 | - | expression tag |
| Leu 23 | - | expression tag |
| Ser 272 | Cys 272 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 60214.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2491.9 | |
| All* | Total formula weight | 62705.9 |
