7YMG
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 2-({3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}amino)-3-(1H-indol-3-yl)propan-1-ol
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 | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 3 | A, B | (2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol | non-polymer | 336.4 | 2 | Chemie (JHO) | |||
| 4 | A, B | FORMIC ACID | non-polymer | 46.0 | 3 | Chemie (FMT) | |||
| 5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | water | water | 18.0 | 138 | 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 | 8 |
| Total formula weight | 948.9 | |
| All* | Total formula weight | 30999.4 |
