› 4o0x

X-ray diffraction
2.48Å resolution

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

Released:
DOI: 10.2210/pdb4o0x/pdb
PDB entry 4o0x coloured by chain, front view.
PDB entry 4o0x coloured by chain, side view.
PDB entry 4o0x 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

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132116 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PAK 4 Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 33.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O96013 (Residues: 300-591; Coverage: 49%)
Gene names: KIAA1142, PAK4
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 2OQ 1 x 2OQ
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P41212
Unit cell:
a: 64.877Å b: 64.877Å c: 184.01Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.242 0.204 0.242
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

3 mentions without citation

Recent advances on development of p21-activated kinase 4 inhibitors as anti-tumor agents.
Li et al. (2022)
2 more