7REK
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Bromodomain-containing protein 4 | polymer | 126 | 15012.3 | 2 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (Human) | Protein HUNK1 |
| 2 | A, B | N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine | non-polymer | 552.7 | 2 | Chemie (R6S) | |||
| 3 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 280 | Chemie (HOH) |
Sequence modifications
A, B: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Met 43 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 30024.6 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1477.8 | |
| All* | Total formula weight | 31502.4 |
