6S1I
Crystal Structure of DYRK1A with small molecule inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | polymer | 361 | 42081.5 | 4 | UniProt (Q13627) Pfam (PF00069) | Homo sapiens (Human) | Dual specificity YAK1-related kinase,HP86,Protein kinase minibrain homolog,hMNB |
| 2 | E, H, I, M, N... (A, B, C, D) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 3 | F, J, K, O, P (A, B, C) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 5 | Chemie (PG4) | |||
| 4 | G, L, Q, T (A, B, C, D) | ~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | non-polymer | 302.3 | 4 | Chemie (KR8) | |||
| 5 | U, V, W, X (A, B, C, D) | water | water | 18.0 | 647 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 168326.1 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 2852.9 | |
| All* | Total formula weight | 171179.0 |
