4O09
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) | 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one | non-polymer | 378.5 | 1 | Chemie (2R6) | |||
| 3 | C (A) | water | water | 18.0 | 141 | 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 | 378.5 | |
| All* | Total formula weight | 26561.9 |
