› 3tku

X-ray diffraction
2.15Å resolution

MRCK beta in complex with fasudil

Released:
DOI: 10.2210/pdb3tku/pdb
PDB entry 3tku coloured by chain, front view.
PDB entry 3tku coloured by chain, side view.
PDB entry 3tku coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Co-crystal structures of inhibitors with MRCKβ, a key regulator of tumor cell invasion.
Heikkila T, Wheatley E, Crighton D, Schroder E, Boakes A, Kaye SJ, Mezna M, Pang L, Rushbrooke M, Turnbull A, Olson MF
PLoS One 6 e24825 (2011)
PMID: 21949762

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-195286 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase MRCK beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 433 amino acids
Theoretical weight: 49.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y5S2 (Residues: 2-417; Coverage: 24%)
Gene names: CDC42BPB, KIAA1124
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand M77 4 x M77
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 44.95Å b: 123.52Å c: 84.77Å
α: 90° β: 101.13° γ: 90°
R-values:
R R work R free
0.223 0.221 0.273
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Rho-associated coiled-coil containing kinases (ROCK): structure, regulation, and functions.
Julian et al. (2014)
10 more

4 mentions without citation

A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Unbekandt et al. (2014)
3 more