PDBe 3zrl

X-ray diffraction
2.48Å resolution

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

Released:

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Proto-oncogene FRAT1 Chains: X, Y
Molecule details ›
Chains: X, Y
Length: 32 amino acids
Theoretical weight: 3.77 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q92837 (Residues: 197-226; Coverage: 11%)
Gene name: FRAT1
Glycogen synthase kinase-3 beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 371 amino acids
Theoretical weight: 42.04 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P49841 (Residues: 23-393; Coverage: 88%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: R32
Unit cell:
a: 153.231Å b: 153.231Å c: 201.729Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.188 0.185 0.249
Expression system: Spodoptera frugiperda