3ITZ
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine 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) | Mitogen-activated protein kinase 14 | polymer | 366 | 41998.9 | 1 | UniProt (Q16539) Pfam (PF00069) | Homo sapiens (human) | Mitogen-activated protein kinase p38 alpha, MAP kinase p38 alpha, Cytokine suppressive anti-inflammatory drug-binding protein, CSAID-binding protein, CSBP, MAX-interacting protein 2, MAP kinase MXI2, SAPK2A |
| 2 | B (A) | 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide | non-polymer | 440.8 | 1 | Chemie (P66) | |||
| 3 | C (A) | water | water | 18.0 | 92 | Chemie (HOH) |
Sequence modifications
A: 1 - 360 (UniProt: Q16539)
| PDB | External Database | Details |
|---|---|---|
| Gly -5 | - | expression tag |
| Ser -4 | - | expression tag |
| His -3 | - | expression tag |
| Met -2 | - | expression tag |
| Leu -1 | - | expression tag |
| Glu 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41998.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 440.8 | |
| All* | Total formula weight | 42439.8 |
