› 5bms

X-ray diffraction
2.9Å resolution

Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29

Released:
DOI: 10.2210/pdb5bms/pdb
PDB entry 5bms coloured by chain, front view.
PDB entry 5bms coloured by chain, side view.
PDB entry 5bms coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
Crawford JJ, Lee W, Aliagas I, Mathieu S, Hoeflich KP, Zhou W, Wang W, Rouge L, Murray L, La H, Liu N, Fan PW, Cheong J, Heise CE, Ramaswamy S, Mintzer R, Liu Y, Chao Q, Rudolph J
J Med Chem 58 5121-36 (2015)
PMID: 26030457

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 4T6 1 x 4T6
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P41212
Unit cell:
a: 64.412Å b: 64.412Å c: 185.146Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.23
Expression system: Escherichia coli

Quick links

Citations

2 review citations

P21-Activated Kinase 1: Emerging biological functions and potential therapeutic targets in Cancer.
Yao et al. (2020)
1 more

4 mentions without citation

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