5PGZ
CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
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 | 276 | 30585.7 | 2 | UniProt (P50172) Pfam (PF00106) | Mus musculus (Mouse) | 11-beta-hydroxysteroid dehydrogenase 1,11-beta-HSD1,11beta-HSD1A |
| 2 | C, H (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 3 | D, I (A, B) | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | non-polymer | 341.4 | 2 | Chemie (8KG) | |||
| 4 | E, F, G, J, K (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 30 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 292 (UniProt: P50172)
| PDB | External Database | Details |
|---|---|---|
| Met 17 | - | expression tag |
| His 18 | - | expression tag |
| His 19 | - | expression tag |
| His 20 | - | expression tag |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 61171.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2650.0 | |
| All* | Total formula weight | 63821.4 |
