3RKZ
Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model.
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 | (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide | non-polymer | 493.6 | 1 | Chemie (06T) | |||
| 3 | water | water | 18.0 | 337 | 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 | 1 |
| Total formula weight | 493.6 | |
| All* | Total formula weight | 25906.2 |
