4C66
Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | BROMODOMAIN-CONTAINING PROTEIN 4 | polymer | 126 | 14970.3 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | HOMO SAPIENS (HUMAN) | PROTEIN HUNK1, BRD4 |
| 2 | A | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | non-polymer | 343.9 | 1 | Chemie (H4C) | |||
| 3 | water | water | 18.0 | 119 | Chemie (HOH) |
Sequence modifications
A: 44 - 167 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Ser 42 | - | expression tag |
| Met 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14970.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 343.9 | |
| All* | Total formula weight | 15314.1 |
