› 4o0r

X-ray diffraction
2.4Å resolution

Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors

Released:
DOI: 10.2210/pdb4o0r/pdb
PDB entry 4o0r coloured by chain, front view.
PDB entry 4o0r coloured by chain, side view.
PDB entry 4o0r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.
Staben ST, Feng JA, Lyle K, Belvin M, Boggs J, Burch JD, Chua CC, Cui H, DiPasquale AG, Friedman LS, Heise C, Koeppen H, Kotey A, Mintzer R, Oh A, Roberts DA, Rouge L, Rudolph J, Tam C, Wang W, Xiao Y, Young A, Zhang Y, Hoeflich KP
J Med Chem 57 1033-45 (2014)
PMID: 24432870

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-171568 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PAK 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 300 amino acids
Theoretical weight: 33.54 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 7KC 1 x 7KC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21
Unit cell:
a: 63.323Å b: 80.774Å c: 66.013Å
α: 90° β: 106.25° γ: 90°
R-values:
R R work R free
0.208 0.206 0.242
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Targeting cancer with kinase inhibitors.
Gross et al. (2015)
4 more

4 mentions without citation

Identification of Druggable Kinase Target Conformations Using Markov Model Metastable States Analysis of apo-Abl.
Paul et al. (2020)
3 more