8VWM
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
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 | 367 | 42238.1 | 1 | UniProt (P47811) Pfam (PF00069) | Mus musculus (house mouse) | MAP kinase 14,MAPK 14,CRK1,Mitogen-activated protein kinase p38 alpha,MAP kinase p38 alpha |
| 2 | B (A) | (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide | non-polymer | 470.0 | 1 | Chemie (WHE) | |||
| 3 | C, D (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
| 4 | E (A) | water | water | 18.0 | 345 | Chemie (HOH) |
Sequence modifications
A: 2 - 360 (UniProt: P47811)
| PDB | External Database | Details |
|---|---|---|
| Met -6 | - | initiating methionine |
| Ala -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
| His 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42238.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1054.7 | |
| All* | Total formula weight | 43292.8 |
