5KHM
The first BET bromodomain of BRD4 bound to compound 13 in a bivalent manner
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 | 127 | 15099.4 | 2 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (Human) | Protein HUNK1 |
| 2 | A | (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one | non-polymer | 479.6 | 1 | Chemie (XNH) | |||
| 3 | A, B | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 4 | water | water | 18.0 | 282 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 30198.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 755.9 | |
| All* | Total formula weight | 30954.6 |
