7KHL
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Bromodomain-containing protein 4 | polymer | 149 | 17625.0 | 2 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (Human) | Protein HUNK1 |
| 2 | C (A) | methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | non-polymer | 514.5 | 1 | Chemie (WEM) | |||
| 3 | D (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | E, F (A, B) | water | water | 18.0 | 382 | Chemie (HOH) |
Sequence modifications
A, B: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Met 20 | - | initiating methionine |
| His 21 | - | expression tag |
| His 22 | - | expression tag |
| His 23 | - | expression tag |
| His 24 | - | expression tag |
| His 25 | - | expression tag |
| His 26 | - | expression tag |
| Ser 27 | - | expression tag |
| Ser 28 | - | expression tag |
| Gly 29 | - | expression tag |
| Val 30 | - | expression tag |
| Asp 31 | - | expression tag |
| Leu 32 | - | expression tag |
| Gly 33 | - | expression tag |
| Thr 34 | - | expression tag |
| Glu 35 | - | expression tag |
| Asn 36 | - | expression tag |
| Leu 37 | - | expression tag |
| Tyr 38 | - | expression tag |
| Phe 39 | - | expression tag |
| Gln 40 | - | expression tag |
| Ser 41 | - | expression tag |
| Asn 42 | - | expression tag |
| Ala 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 35250.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 606.6 | |
| All* | Total formula weight | 35856.7 |
