4WDX
17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone
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) | Aldo-keto reductase family 1 member C3 | polymer | 331 | 37967.4 | 2 | UniProt (P42330) Pfam (PF00248) | Homo sapiens (Human) | 17-beta-hydroxysteroid dehydrogenase type 5, 17-beta-HSD 5, Testosterone 17-beta-dehydrogenase 5 |
| 2 | C, E (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 3 | D, F (A, B) | [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone | non-polymer | 286.4 | 2 | Chemie (WDX) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 276 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 323 (UniProt: P42330)
| PDB | External Database | Details |
|---|---|---|
| Gln 5 | His 5 | variant |
| Leu 324 | - | expression tag |
| Glu 325 | - | expression tag |
| His 326 | - | expression tag |
| His 327 | - | expression tag |
| His 328 | - | expression tag |
| His 329 | - | expression tag |
| His 330 | - | expression tag |
| His 331 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 75934.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2059.5 | |
| All* | Total formula weight | 77994.3 |
