› 6e9w

X-ray diffraction
2.96Å resolution

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171700 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Rho-associated protein kinase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 443 amino acids
Theoretical weight: 51.45 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q13464 (Residues: 6-415; Coverage: 30%)
Gene name: ROCK1
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
Ligand J0P 2 x J0P
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P3121
Unit cell:
a: 180.632Å b: 180.632Å c: 90.294Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.194 0.255
Expression system: Trichoplusia ni

Quick links

Citations

1 review citation

The pyridazine heterocycle in molecular recognition and drug discovery.
Meanwell NA. (2023)
6 other articles

4 mentions without citation

Computational study of paroxetine-like inhibitors reveals new molecular insight to inhibit GRK2 with selectivity over ROCK1.
Keretsu et al. (2019)
3 more