8P9L
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512
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 | 127 | 15099.4 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (human) | Protein HUNK1 |
| 2 | A | ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | non-polymer | 435.5 | 1 | Chemie (XA3) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 121 | 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 | 5 |
| Total formula weight | 683.7 | |
| All* | Total formula weight | 15783.1 |
