4C67
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 | 127 | 15099.4 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | HOMO SAPIENS (HUMAN) | PROTEIN HUNK1, BRD4 |
| 2 | A | 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene | non-polymer | 280.3 | 1 | Chemie (L5S) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 254 | Chemie (HOH) |
Sequence modifications
A: 44 - 168 (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 | 15099.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 404.5 | |
| All* | Total formula weight | 15503.9 |
