7YQ9
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
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 | 15025.2 | 2 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (human) | Protein HUNK1 |
| 2 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 3 | A, B | N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | non-polymer | 346.3 | 2 | Chemie (JLX) | |||
| 4 | A | FORMIC ACID | non-polymer | 46.0 | 2 | Chemie (FMT) | |||
| 5 | water | water | 18.0 | 134 | Chemie (HOH) |
Sequence modifications
A, B: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Gly 42 | - | expression tag |
| Ser 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 30050.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 855.6 | |
| All* | Total formula weight | 30906.0 |
