9CE4
Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Serine/threonine-protein kinase Chk1 | polymer | 268 | 30973.8 | 1 | UniProt (O14757) Pfam (PF00069) | Homo sapiens (human) | CHK1 checkpoint homolog,Cell cycle checkpoint kinase,Checkpoint kinase-1 |
| 2 | B (A) | (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium | non-polymer | 372.9 | 1 | Chemie (A1AV4) | |||
| 3 | C, D, E, F, G... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 4 | J (A) | water | water | 18.0 | 213 | Chemie (HOH) |
Sequence modifications
A: 4 - 271 (UniProt: O14757)
| PDB | External Database | Details |
|---|---|---|
| Leu 59 | Asn 59 | engineered mutation |
| Ile 68 | Val 68 | engineered mutation |
| Met 84 | Leu 84 | engineered mutation |
| Leu 86 | Tyr 86 | engineered mutation |
| Ala 87 | Cys 87 | engineered mutation |
| Ser 91 | Glu 91 | engineered mutation |
| His 134 | Glu 134 | engineered mutation |
| Ala 147 | Ser 147 | engineered mutation |
| Tyr 149 | Phe 149 | engineered mutation |
| Ser 150 | Gly 150 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30973.8 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 807.3 | |
| All* | Total formula weight | 31781.1 |
