3NDM
Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative
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 | Rho-Associated Protein Kinase (ROCK1) | polymer | 415 | 48012.3 | 4 | UniProt (Q13464) Pfam (PF00069) In PDB | Homo sapiens (human) | ROCK1 |
| 2 | B, C, D | (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide | non-polymer | 402.3 | 3 | Chemie (3ND) | |||
| 3 | water | water | 18.0 | 65 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 6 - 415 (UniProt: Q13464)
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
| Ser 2 | - | expression tag |
| Leu 3 | - | expression tag |
| His 4 | - | expression tag |
| Met 5 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 192049.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1206.8 | |
| All* | Total formula weight | 193256.0 |
