5CS8
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
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 | 141 | 16767.3 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (Human) | Protein HUNK1 |
2 | A | methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate | non-polymer | 410.4 | 1 | Chemie (EB8) | |||
3 | A | NITRATE ION | non-polymer | 62.0 | 2 | Chemie (NO3) | |||
4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
6 | water | water | 18.0 | 50 | Chemie (HOH) |
Sequence modifications
A: 44 - 168 (UniProt: O60885)
PDB | External Database | Details |
---|---|---|
Met 28 | - | initiating methionine |
Lys 29 | - | expression tag |
Lys 30 | - | expression tag |
Gly 31 | - | expression tag |
His 32 | - | expression tag |
His 33 | - | expression tag |
His 34 | - | expression tag |
His 35 | - | expression tag |
His 36 | - | expression tag |
His 37 | - | expression tag |
Leu 38 | - | expression tag |
Val 39 | - | expression tag |
Pro 40 | - | expression tag |
Arg 41 | - | expression tag |
Gly 42 | - | expression tag |
Ser 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 16767.3 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 996.9 | |
All* | Total formula weight | 17764.3 |