3HB5
Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | X | Estradiol 17-beta-dehydrogenase 1 | polymer | 327 | 34887.8 | 1 | UniProt (P14061) Pfam (PF00106) In PDB | Homo sapiens (human) | 17-beta-hydroxysteroid dehydrogenase type 1, 17-beta-HSD 1, Placental 17-beta-hydroxysteroid dehydrogenase, 20 alpha-hydroxysteroid dehydrogenase, 20-alpha-HSD, E2DH |
| 2 | X | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 3 | X | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide | non-polymer | 405.5 | 1 | Chemie (E2B) | |||
| 4 | water | water | 18.0 | 94 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34887.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1148.9 | |
| All* | Total formula weight | 36036.8 |
