1YWR
Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone 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 | 360 | 41322.2 | 1 | UniProt (P47811) Pfam (PF00069) | Mus musculus (house mouse) | Mitogen-activated protein kinase p38alpha, MAP kinase p38alpha, CRK1 |
| 2 | B (A) | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE | non-polymer | 472.6 | 1 | Chemie (LI9) | |||
| 3 | C (A) | water | water | 18.0 | 196 | Chemie (HOH) |
Sequence modifications
A: 1 - 360 (UniProt: P47811)
| PDB | External Database | Details |
|---|---|---|
| Ala 180 | Thr 179 | engineered mutation |
| Phe 182 | Tyr 181 | engineered mutation |
| Thr 263 | Ala 262 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41322.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 472.6 | |
| All* | Total formula weight | 41794.7 |
