9F1N
First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Bromodomain-containing protein 4 | polymer | 127 | 15099.4 | 4 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (human) | Protein HUNK1 |
| 2 | E, F, L, O (A, B, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 3 | G, H, I, N (A, C) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 4 | J, K, M, P (A, B, C, D) | (2S,4R)-1-[(2S)-2-[9-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]nonanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-4H-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | non-polymer | 1158.5 | 4 | Chemie (A1H9H) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 360 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 60397.5 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4974.4 | |
| All* | Total formula weight | 65371.9 |
