5AME
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | BROMODOMAIN-CONTAINING PROTEIN 1 | polymer | 135 | 15753.0 | 2 | UniProt (O95696) Pfam (PF00439) In PDB | HOMO SAPIENS (HUMAN) | BRD1A, BR140-LIKE PROTEIN, BROMODOMAIN AND PHD FINGER-CONTAINING PROTEIN 2 |
| 2 | B | 4-acetyl-piperazin-2-one | non-polymer | 142.2 | 1 | Chemie (PW3) | |||
| 3 | B | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | water | water | 18.0 | 300 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 156 (UniProt: O95696)
| PDB | External Database | Details |
|---|---|---|
| Ser 22 | - | expression tag |
| Met 23 | - | expression tag |
| Glu 34 | Pro 566 | engineered mutation |
| Arg 37 | Val 569 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 31506.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 165.1 | |
| All* | Total formula weight | 31671.2 |
