8PTA
JNK1 covalently bound to BD837 cyclohexenone based 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 | Mitogen-activated protein kinase 8 | polymer | 366 | 42032.6 | 3 | UniProt (P45983) Pfam (PF00069) In PDB | Homo sapiens (human) | MAP kinase 8,MAPK 8,JNK-46,Stress-activated protein kinase 1c,SAPK1c,Stress-activated protein kinase JNK1,c-Jun N-terminal kinase 1 |
| 2 | A, B, C | methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | non-polymer | 592.6 | 3 | Chemie (CIF) | |||
| 3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | water | water | 18.0 | 27 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 364 (UniProt: P45983)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Ile 208 | Leu 208 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 126097.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1870.0 | |
| All* | Total formula weight | 127967.7 |
