8EAD
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-177
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Bromodomain-containing protein 4 | polymer | 127 | 15099.4 | 1 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (human) | Protein HUNK1 |
| 2 | B, D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 3 | C (A) | N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide | non-polymer | 559.1 | 1 | Chemie (UY0) | |||
| 4 | E (A) | water | water | 18.0 | 171 | 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 | 683.3 | |
| All* | Total formula weight | 15782.6 |
