2R9S
c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline 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 (A, B) | Mitogen-activated protein kinase 10 | polymer | 356 | 41284.8 | 2 | UniProt (P53779) Pfam (PF00069) | Homo sapiens (human) | Stress-activated protein kinase JNK3; c-Jun N-terminal kinase 3; MAP kinase p49 3F12 |
| 2 | C, Z (A, B) | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | non-polymer | 432.5 | 2 | Chemie (255) | |||
| 3 | AA, BA, CA, D, DA... (B, A) | UNKNOWN ATOM OR ION | non-polymer | 27 | Chemie (UNX) | ||||
| 4 | KA, U (B, A) | trifluoroacetic acid | non-polymer | 114.0 | 2 | Chemie (TFA) | |||
| 5 | LA, MA, V, W, X... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 6 | NA, OA (A, B) | water | water | 18.0 | 182 | Chemie (HOH) |
Sequence modifications
A, B: 46 - 401 (UniProt: P53779)
| PDB | External Database | Details |
|---|---|---|
| Ocy 154 | Cys 154 | modified residue |
| Ocy 175 | Cys 175 | modified residue |
| Ocy 201 | Cys 201 | modified residue |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 82569.6 | |
| Non-Polymers* | Number of molecules | 37 |
| Total formula weight | 1465.5 | |
| All* | Total formula weight | 84035.1 |
