› 3fy0

X-ray diffraction
2.35Å resolution

Crystal structure of PAK1 kinase domain with ruthenium complex DW1

Released:
DOI: 10.2210/pdb3fy0/pdb
PDB entry 3fy0 coloured by chain, front view.
PDB entry 3fy0 coloured by chain, side view.
PDB entry 3fy0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting large kinase active site with rigid, bulky octahedral ruthenium complexes.
Maksimoska J, Feng L, Harms K, Yi C, Kissil J, Marmorstein R, Meggers E
J Am Chem Soc 130 15764-5 (2008)
PMID: 18973295

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
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 DW1 1 x DW1
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: C2221
Unit cell:
a: 53.05Å b: 102.66Å c: 122.341Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.202 0.26
Expression system: Escherichia coli

Quick links

Citations

28 review citations

PAK signalling during the development and progression of cancer.
Radu et al. (2014)
27 more

3 mentions without citation

3D structure analysis of PAKs: A clue to the rational design for affinity reagents and blockers.
Jha et al. (2012)
2 more