› 4daw

X-ray diffraction
2Å resolution

Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex

Released:
DOI: 10.2210/pdb4daw/pdb
PDB entry 4daw coloured by chain, front view.
PDB entry 4daw coloured by chain, side view.
PDB entry 4daw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The art of filling protein pockets efficiently with octahedral metal complexes.
Blanck S, Maksimoska J, Baumeister J, Harms K, Marmorstein R, Meggers E
Angew Chem Int Ed Engl 51 5244-6 (2012)
PMID: 22383326

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171568 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PAK 1 Chain: A
Molecule details ›
Chain: A
Length: 297 amino acids
Theoretical weight: 33.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q13153 (Residues: 249-545; Coverage: 55%)
Gene name: PAK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 0H2 1 x 0H2
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: C2221
Unit cell:
a: 51.676Å b: 103.549Å c: 122.79Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.201 0.238
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Bioactive luminescent transition-metal complexes for biomedical applications.
Ma et al. (2013)
10 more

5 mentions without citation

FRAX597, a small molecule inhibitor of the p21-activated kinases, inhibits tumorigenesis of neurofibromatosis type 2 (NF2)-associated Schwannomas.
Licciulli et al. (2013)
4 more