4FCP
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
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) | Heat shock protein HSP 90-alpha | polymer | 236 | 26601.8 | 2 | UniProt (P07900) Pfam (PF13589) | Homo sapiens (human) | Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38 |
| 2 | C, D (A, B) | N,N-dimethyl-7H-purin-6-amine | non-polymer | 163.2 | 2 | Chemie (42C) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 376 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 53203.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 326.4 | |
| All* | Total formula weight | 53529.9 |
