7ORE
Crystal structure of JNK3 in complex with light-activated covalent inhibitor MR-II-249 with both non-covalent and covalent binding modes (compound 4)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Mitogen-activated protein kinase 10 | polymer | 365 | 42146.8 | 1 | UniProt (P53779) Pfam (PF00069) In PDB | Homo sapiens (Human) | MAP kinase 10,MAPK 10,MAP kinase p49 3F12,Stress-activated protein kinase 1b,SAPK1b,Stress-activated protein kinase JNK3,c-Jun N-terminal kinase 3 |
| 2 | A | 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide | non-polymer | 648.8 | 2 | Chemie (0EI) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 56 | Chemie (HOH) |
Sequence modifications
A: 39 - 402 (UniProt: P53779)
| PDB | External Database | Details |
|---|---|---|
| Ser 38 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42146.8 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1856.2 | |
| All* | Total formula weight | 44003.0 |
