› 2esm

X-ray diffraction
3.2Å resolution

Crystal Structure of ROCK 1 bound to fasudil

Released:
DOI: 10.2210/pdb2esm/pdb
PDB entry 2esm coloured by chain, front view.
PDB entry 2esm coloured by chain, side view.
PDB entry 2esm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The structure of dimeric ROCK I reveals the mechanism for ligand selectivity.
Jacobs M, Hayakawa K, Swenson L, Bellon S, Fleming M, Taslimi P, Doran J
J Biol Chem 281 260-8 (2006)
PMID: 16249185

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: 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:
Ligand M77 2 x M77
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P3121
Unit cell:
a: 181.046Å b: 181.046Å c: 89.42Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.245 0.245 0.269
Expression system: Spodoptera frugiperda

Quick links

Citations

29 review citations

Rho-kinase/ROCK: A key regulator of the cytoskeleton and cell polarity.
Amano et al. (2010)
28 more

16 mentions without citation

Approaches of targeting Rho GTPases in cancer drug discovery.
Lin et al. (2015)
15 more