4O05
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 | Heat shock protein HSP 90-alpha | polymer | 233 | 26183.4 | 1 | UniProt (P07900) Pfam (PF13589) In PDB | Homo sapiens (human) | Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38 |
| 2 | A | 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one | non-polymer | 434.6 | 1 | Chemie (2Q9) | |||
| 3 | water | water | 18.0 | 186 | 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 | 434.6 | |
| All* | Total formula weight | 26618.0 |
