2BT0
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, B (A, B) | HEAT SHOCK PROTEIN HSP90-ALPHA | polymer | 235 | 26470.6 | 2 | UniProt (P07900) Pfam (PF13589) | HOMO SAPIENS (HUMAN) | HSP 86 |
| 2 | C, D (A, B) | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL | non-polymer | 352.4 | 2 | Chemie (CT5) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 487 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 236 (UniProt: P07900)
| PDB | External Database | Details |
|---|---|---|
| Ser 63 | Thr 62 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 52941.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 704.8 | |
| All* | Total formula weight | 53645.9 |
