› 1q3w

X-ray diffraction
2.3Å resolution

GSK-3 Beta complexed with Alsterpaullone

Released:
DOI: 10.2210/pdb1q3w/pdb
PDB entry 1q3w coloured by chain, front view.
PDB entry 1q3w coloured by chain, side view.
PDB entry 1q3w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors.
Bertrand JA, Thieffine S, Vulpetti A, Cristiani C, Valsasina B, Knapp S, Kalisz HM, Flocco M
J Mol Biol 333 393-407 (2003)
PMID: 14529625

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:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156061 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycogen synthase kinase-3 beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 424 amino acids
Theoretical weight: 47.08 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P49841 (Residues: 2-420; Coverage: 100%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand ATU 2 x ATU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 82.673Å b: 85.991Å c: 178.192Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.225 0.248
Expression system: Spodoptera frugiperda

Quick links

Citations

12 review citations

Untangling tau hyperphosphorylation in drug design for neurodegenerative diseases.
Mazanetz et al. (2007)
11 more

14 mentions without citation

Small-Molecule Inhibitors of GSK-3: Structural Insights and Their Application to Alzheimer's Disease Models.
Kramer et al. (2012)
13 more