› 4l6q

X-ray diffraction
2.79Å 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-130836 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Rho-associated protein kinase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 402 amino acids
Theoretical weight: 45.9 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O75116 (Residues: 19-417; Coverage: 29%)
Gene names: KIAA0619, ROCK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 1WU 2 x 1WU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 136.465Å b: 147.518Å c: 91.214Å
α: 90° β: 125.17° γ: 90°
R-values:
R R work R free
0.224 0.222 0.281
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

The versatility of boron in biological target engagement.
Diaz et al. (2017)
2 more

3 mentions without citation

Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical Libraries.
Xu et al. (2016)
2 more