3MXF
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1
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 | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | non-polymer | 458.0 | 1 | Chemie (JQ1) | |||
| 3 | A | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
| 4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | water | water | 18.0 | 208 | Chemie (HOH) |
Sequence modifications
A: 42 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Met 43 | Thr 43 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15099.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 849.2 | |
| All* | Total formula weight | 15948.6 |
