› 3qfv

X-ray diffraction
2.65Å resolution

MRCK beta in complex with TPCA-1

Released:
DOI: 10.2210/pdb3qfv/pdb
PDB entry 3qfv coloured by chain, front view.
PDB entry 3qfv coloured by chain, side view.
PDB entry 3qfv 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: 415 amino acids
Theoretical weight: 47.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y5S2 (Residues: 1-415; Coverage: 24%)
Gene names: CDC42BPB, KIAA1124
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand NM7 2 x NM7
Ligand EDO 3 x EDO
Ligand CL 2 x CL
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 44.81Å b: 123.36Å c: 85.49Å
α: 90° β: 100.69° γ: 90°
R-values:
R R work R free
0.196 0.192 0.268
Expression system: Escherichia coli

Quick links

Citations

11 review citations

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

1 mention without citation

Co-crystal structures of inhibitors with MRCKβ, a key regulator of tumor cell invasion.
Heikkila et al. (2011)