› 1pyx

X-ray diffraction
2.4Å resolution

GSK-3 Beta complexed with AMP-PNP

Released:
DOI: 10.2210/pdb1pyx/pdb
PDB entry 1pyx coloured by chain, front view.
PDB entry 1pyx coloured by chain, side view.
PDB entry 1pyx 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: 422 amino acids
Theoretical weight: 46.96 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P49841 (Residues: 1-420; Coverage: 100%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MG 4 x MG
Ligand ANP 2 x ANP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 82.691Å b: 85.209Å c: 178.138Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.206 0.233
Expression system: Spodoptera frugiperda

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Citations

11 review citations

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

32 mentions without citation

Recent Developments in New Therapeutic Agents against Alzheimer and Parkinson Diseases: In-Silico Approaches.
Cruz-Vicente et al. (2021)
31 more