PDBe 3ndm

X-ray diffraction
3.3Å resolution

Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative

Released:

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Rho-associated protein kinase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 415 amino acids
Theoretical weight: 48.01 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q13464 (Residues: 6-415; Coverage: 30%)
Gene name: ROCK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2
Unit cell:
a: 162.784Å b: 83.553Å c: 177.962Å
α: 90° β: 119.95° γ: 90°
R-values:
R R work R free
0.244 0.241 0.31
Expression system: Spodoptera frugiperda