4MQ1
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine 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, MNBH, hMNB |
| 2 | E, J, O, S (A, B, C, D) | N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide | non-polymer | 541.4 | 4 | Chemie (2C3) | |||
| 3 | F, G, K, L, P... (A, B, C, D) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 6 | Chemie (1PE) | |||
| 4 | H, I, M, N, Q... (A, B, C, D) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 5 | W, X, Y, Z (A, B, C, D) | water | water | 18.0 | 470 | 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 | 18 |
| Total formula weight | 4363.7 | |
| All* | Total formula weight | 172689.9 |
