4QEV
Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE)
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 2 | polymer | 114 | 13333.3 | 1 | UniProt (P25440) Pfam (PF00439) | Homo sapiens (human) | O27.1.1, Really interesting new gene 3 protein |
| 2 | B (A) | methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate | non-polymer | 424.9 | 1 | Chemie (31O) | |||
| 3 | C (A) | NONAETHYLENE GLYCOL | non-polymer | 414.5 | 1 | Chemie (2PE) | |||
| 4 | D (A) | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 5 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | F (A) | water | water | 18.0 | 69 | Chemie (HOH) |
Sequence modifications
A: 344 - 455 (UniProt: P25440)
| PDB | External Database | Details |
|---|---|---|
| Ser 342 | - | expression tag |
| Met 343 | - | expression tag |
| Ala 383 | Leu 383 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 13333.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 990.2 | |
| All* | Total formula weight | 14323.5 |
