6PS9
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)
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 | 126 | 14968.2 | 1 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (Human) | Protein HUNK1 |
| 2 | B (A) | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one | non-polymer | 311.4 | 1 | Chemie (Y17) | |||
| 3 | C (A) | water | water | 18.0 | 228 | Chemie (HOH) |
Sequence modifications
A: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Ser 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14968.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 311.4 | |
| All* | Total formula weight | 15279.6 |
