3S91
Crystal Structure of the first bromodomain of human BRD3 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 3 | polymer | 123 | 14586.8 | 1 | UniProt (Q15059) Pfam (PF00439) In PDB | Homo sapiens (human) | RING3-like protein |
| 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 | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 1 | Chemie (IPA) | |||
| 4 | water | water | 18.0 | 74 | Chemie (HOH) |
Sequence modifications
A: 24 - 144 (UniProt: Q15059)
| PDB | External Database | Details |
|---|---|---|
| Ser 22 | - | expression tag |
| Met 23 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14586.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 518.1 | |
| All* | Total formula weight | 15104.9 |
