3QTF
Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity
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 | 226 | 25412.6 | 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 | (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide | non-polymer | 408.5 | 1 | Chemie (05S) | |||
| 3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | water | water | 18.0 | 311 | Chemie (HOH) |
Sequence modifications
A: 11 - 236 (UniProt: P07900)
| PDB | External Database | Details |
|---|---|---|
| - | Glu 16 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25412.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 486.7 | |
| All* | Total formula weight | 25899.2 |
