5S9R
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
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 | 128 | 15207.5 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (Human) | Protein HUNK1 |
| 2 | A | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | non-polymer | 495.6 | 1 | Chemie (YWA) | |||
| 3 | A | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 5 | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Gly 41 | - | expression tag |
| His 42 | - | expression tag |
| Met 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15207.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1000.5 | |
| All* | Total formula weight | 16208.0 |
