› 3f7z

X-ray diffraction
2.4Å resolution

X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor

Released:
DOI: 10.2210/pdb3f7z/pdb
PDB entry 3f7z coloured by chain, front view.
PDB entry 3f7z coloured by chain, side view.
PDB entry 3f7z coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Saitoh M, Kunitomo J, Kimura E, Hayase Y, Kobayashi H, Uchiyama N, Kawamoto T, Tanaka T, Mol CD, Dougan DR, Textor GS, Snell GP, Itoh F
Bioorg Med Chem 17 2017-29 (2009)
PMID: 19200745

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [tau protein] = ADP + [tau protein] phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156055 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycogen synthase kinase-3 beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 350 amino acids
Theoretical weight: 39.88 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P49841 (Residues: 35-383; Coverage: 83%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 34O 2 x 34O
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P21
Unit cell:
a: 67.622Å b: 117.23Å c: 67.351Å
α: 90° β: 102.71° γ: 90°
R-values:
R R work R free
0.206 0.203 0.253
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Glycogen Synthase Kinase-3 (GSK-3)-Targeted Therapy and Imaging.
Pandey et al. (2016)
3 more

11 mentions without citation

Advanced Bioinformatics Tools in the Pharmacokinetic Profiles of Natural and Synthetic Compounds with Anti-Diabetic Activity.
Udrea et al. (2021)
10 more