8P9F
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Bromodomain-containing protein 4 | polymer | 127 | 15099.4 | 1 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (human) | Protein HUNK1 |
| 2 | B (A) | ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | non-polymer | 363.4 | 1 | Chemie (X9O) | |||
| 3 | C, D, E, F, G (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 4 | H (A) | water | water | 18.0 | 124 | Chemie (HOH) |
Sequence modifications
A: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Ser 42 | - | expression tag |
| Met 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15099.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 673.8 | |
| All* | Total formula weight | 15773.1 |
