6CJ1
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071
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 | 125 | 14841.2 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (Human) | Protein HUNK1 |
| 2 | A | 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | non-polymer | 612.8 | 1 | Chemie (F2S) | |||
| 3 | A | 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | non-polymer | 612.8 | 1 | Chemie (FND) | |||
| 4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | A | NITRATE ION | non-polymer | 62.0 | 2 | Chemie (NO3) | |||
| 6 | water | water | 18.0 | 250 | Chemie (HOH) |
Sequence modifications
A: 44 - 166 (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 | 14841.2 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1535.7 | |
| All* | Total formula weight | 16376.9 |
