4QTD
Structure of human JNK1 in complex with SCH772984 and the AMPPNP-hydrolysed triphosphate revealing the second type-I binding mode
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 8 | polymer | 364 | 42054.7 | 1 | UniProt (P45983) Pfam (PF00069) | 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 | B, C, D, E, F... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 22 | Chemie (EDO) | |||
| 3 | X (A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 4 | Y (A) | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | non-polymer | 587.7 | 1 | Chemie (38Z) | |||
| 5 | Z (A) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 1 | Chemie (ANP) | |||
| 6 | AA (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 7 | BA (A) | water | water | 18.0 | 367 | Chemie (HOH) |
Sequence modifications
A: 1 - 363 (UniProt: P45983)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42054.7 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 2722.0 | |
| All* | Total formula weight | 44776.7 |
