2BSM
Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design
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 HSP90-ALPHA | polymer | 235 | 26470.6 | 1 | UniProt (P07900) Pfam (PF13589) | HOMO SAPIENS (HUMAN) | HSP 86 |
| 2 | B (A) | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE | non-polymer | 387.8 | 1 | Chemie (BSM) | |||
| 3 | C (A) | water | water | 18.0 | 247 | Chemie (HOH) |
Sequence modifications
A: 2 - 236 (UniProt: P07900)
| PDB | External Database | Details |
|---|---|---|
| Ser 63 | Thr 62 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26470.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 387.8 | |
| All* | Total formula weight | 26858.4 |
