7O7K
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | polymer | 361 | 42081.5 | 2 | UniProt (Q13627) Pfam (PF00069) In PDB | Homo sapiens (Human) | Dual specificity YAK1-related kinase,HP86,Protein kinase minibrain homolog,hMNB |
| 2 | A, B | CITRATE ANION | non-polymer | 189.1 | 4 | Chemie (FLC) | |||
| 3 | A, B | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | non-polymer | 506.6 | 2 | Chemie (6ZV) | |||
| 4 | B, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 20 | Chemie (EDO) | |||
| 5 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | B, A | LITHIUM ION | non-polymer | 6.9 | 2 | Chemie (LI) | |||
| 7 | water | water | 18.0 | 375 | Chemie (HOH) |
Sequence modifications
A, B: 127 - 485 (UniProt: Q13627)
| PDB | External Database | Details |
|---|---|---|
| Ser 125 | - | expression tag |
| Met 126 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 84163.1 | |
| Non-Polymers* | Number of molecules | 29 |
| Total formula weight | 3130.9 | |
| All* | Total formula weight | 87294.0 |
