7REL
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
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 |
| 2 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 3 | A | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | non-polymer | 561.1 | 1 | Chemie (4OW) | |||
| 4 | water | water | 18.0 | 183 | 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 | 2 |
| Total formula weight | 623.2 | |
| All* | Total formula weight | 15722.6 |
