8CKF
Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol 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 | 148 | 17561.0 | 1 | UniProt (O60885) Pfam (PF00439) In PDB | Homo sapiens (human) | Protein HUNK1 |
2 | A | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol | non-polymer | 296.3 | 1 | Chemie (E5Q) | |||
3 | A | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol | non-polymer | 296.3 | 1 | Chemie (V0R) | |||
4 | water | water | 18.0 | 65 | Chemie (HOH) |
Sequence modifications
A: 44 - 168 (UniProt: O60885)
PDB | External Database | Details |
---|---|---|
Met 21 | - | initiating methionine |
His 22 | - | expression tag |
His 23 | - | expression tag |
His 24 | - | expression tag |
His 25 | - | expression tag |
His 26 | - | expression tag |
His 27 | - | expression tag |
Ser 28 | - | expression tag |
Ser 29 | - | expression tag |
Gly 30 | - | expression tag |
Val 31 | - | expression tag |
Asp 32 | - | expression tag |
Leu 33 | - | expression tag |
Gly 34 | - | expression tag |
Thr 35 | - | expression tag |
Glu 36 | - | expression tag |
Asn 37 | - | expression tag |
Leu 38 | - | expression tag |
Tyr 39 | - | expression tag |
Phe 40 | - | expression tag |
Gln 41 | - | expression tag |
Ser 42 | - | expression tag |
Met 43 | - | expression tag |
Cys 94 | Leu 94 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 17561.0 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 592.6 | |
All* | Total formula weight | 18153.7 |