5WJJ
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Mitogen-activated protein kinase 14 | polymer | 365 | 41714.5 | 1 | UniProt (Q16539) Pfam (PF00069) In PDB | Homo sapiens (Human) | MAPK 14,Cytokine suppressive anti-inflammatory drug-binding protein,CSBP,MAP kinase MXI2,MAX-interacting protein 2,Mitogen-activated protein kinase p38 alpha,MAP kinase p38 alpha,Stress-activated protein kinase 2a,SAPK2a |
| 2 | A | N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | non-polymer | 454.5 | 1 | Chemie (AQY) | |||
| 3 | water | water | 18.0 | 380 | Chemie (HOH) |
Sequence modifications
A: 1 - 360 (UniProt: Q16539)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Ala -3 | - | expression tag |
| Met -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Ser 119 | Cys 119 | conflict |
| Ser 162 | Cys 162 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41714.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 454.5 | |
| All* | Total formula weight | 42169.0 |
