6N6O
Crystal structure of the human TTK in complex with an inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dual specificity protein kinase TTK | polymer | 285 | 32926.8 | 1 | UniProt (P33981) Pfam (PF00069) | Homo sapiens (Human) | Phosphotyrosine picked threonine-protein kinase,PYT |
| 2 | B (A) | 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide | non-polymer | 556.0 | 1 | Chemie (KE7) | |||
| 3 | C (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 4 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E (A) | water | water | 18.0 | 3 | Chemie (HOH) |
Sequence modifications
A: 515 - 795 (UniProt: P33981)
| PDB | External Database | Details |
|---|---|---|
| Ser 513 | - | expression tag |
| His 514 | - | expression tag |
| Leu 796 | - | expression tag |
| Glu 797 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32926.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 856.3 | |
| All* | Total formula weight | 33783.1 |
