4O04
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Heat shock protein HSP 90-alpha | polymer | 233 | 26183.4 | 1 | UniProt (P07900) Pfam (PF13589) | Homo sapiens (human) | Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38 |
| 2 | B (A) | 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide | non-polymer | 351.4 | 1 | Chemie (2Q8) | |||
| 3 | C (A) | water | water | 18.0 | 202 | Chemie (HOH) |
Sequence modifications
A: 9 - 236 (UniProt: P07900)
| PDB | External Database | Details |
|---|---|---|
| Gly 4 | - | expression tag |
| Ser 5 | - | expression tag |
| Leu 6 | - | expression tag |
| His 7 | - | expression tag |
| Met 8 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26183.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 351.4 | |
| All* | Total formula weight | 26534.8 |
