4XIT
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors
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 HSP 90-alpha | polymer | 233 | 26183.4 | 1 | UniProt (P07900) Pfam (PF13589) | Homo sapiens (Human) | Heat shock 86 kDa,HSP86,Lipopolysaccharide-associated protein 2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38 |
| 2 | B (A) | 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide | non-polymer | 451.9 | 1 | Chemie (40Z) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | water | water | 18.0 | 155 | 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 | 2 |
| Total formula weight | 544.0 | |
| All* | Total formula weight | 26727.4 |
