6EMH
Crystal structure of JNK3 in complex with a pyridinylimidazole 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, D (A, B, C, D) | Mitogen-activated protein kinase 10 | polymer | 367 | 42260.9 | 4 | UniProt (P53779) Pfam (PF00069) | Homo sapiens (Human) | MAPK 10,MAP kinase p49 3F12,Stress-activated protein kinase 1b,SAPK1b,Stress-activated protein kinase JNK3,c-Jun N-terminal kinase 3 |
| 2 | E, F, K (A, B) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 3 | Chemie (BME) | |||
| 3 | G, O, T (A, C, D) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | H, L, Q, V (A, B, C, D) | 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine | non-polymer | 335.4 | 4 | Chemie (BGE) | |||
| 5 | I, M, R, W, X (A, B, C, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 6 | J, N (A, B) | N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE | non-polymer | 336.6 | 2 | Chemie (C15) | |||
| 7 | P, U (C, D) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 8 | S, Y, Z (C, D) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 9 | AA, BA, CA, DA (A, B, C, D) | water | water | 18.0 | 861 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 39 - 402 (UniProt: P53779)
| PDB | External Database | Details |
|---|---|---|
| Gly 36 | - | expression tag |
| Gly 37 | - | expression tag |
| Ser 38 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 169043.4 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 3154.3 | |
| All* | Total formula weight | 172197.8 |
