4X2I
Discovery of benzotriazolo diazepines as orally-active inhibitors of BET bromodomains: Crystal structure of BRD4 with CPI-13
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 | 14868.1 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (Human) | Protein HUNK1 |
| 2 | A | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
| 3 | A | (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine | non-polymer | 324.8 | 1 | Chemie (3X0) | |||
| 4 | water | water | 18.0 | 183 | Chemie (HOH) |
Sequence modifications
A: 42 - 166 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Gly 41 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14868.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 370.8 | |
| All* | Total formula weight | 15238.9 |
