5D3S
First bromodomain of BRD4 bound to inhibitor XD44
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 | 15012.3 | 1 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (Human) | Protein HUNK1 |
| 2 | B (A) | 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide | non-polymer | 437.5 | 1 | Chemie (579) | |||
| 3 | C (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D (A) | (R,R)-2,3-BUTANEDIOL | non-polymer | 90.1 | 1 | Chemie (BU3) | |||
| 5 | E (A) | water | water | 18.0 | 119 | Chemie (HOH) |
Sequence modifications
A: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Met 43 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15012.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 605.7 | |
| All* | Total formula weight | 15618.0 |
