5KTX
CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | CREB-binding protein | polymer | 114 | 13545.5 | 1 | UniProt (Q92793) Pfam (PF00439) In PDB | Homo sapiens (Human) | |
| 2 | A | 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone | non-polymer | 424.5 | 1 | Chemie (6XH) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | water | water | 18.0 | 229 | Chemie (HOH) |
Sequence modifications
A: 1085 - 1196 (UniProt: Q92793)
| PDB | External Database | Details |
|---|---|---|
| Ala 1083 | - | expression tag |
| Ala 1084 | - | expression tag |
| Ala 1195 | Ser 1195 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 13545.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 626.7 | |
| All* | Total formula weight | 14172.2 |
