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› 7u36

X-ray diffraction
2.75Å resolution

Crystal structure of human GSK3B in complex with ARN1484

Released:
DOI: 10.2210/pdb7u36/pdb
Model geometry
Fit model/data
PDB entry 7u36 coloured by chain, front view.
PDB entry 7u36 coloured by chain, side view.
PDB entry 7u36 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of Novel GSK-3β Hits Using Competitive Biophysical Assays.
Balboni B, Tripathi SK, Veronesi M, Russo D, Penna I, Giabbai B, Bandiera T, Storici P, Girotto S, Cavalli A
OpenAccess logo Int J Mol Sci 23 (2022)
PMID: 35409221

Function and Biology Details

Reactions catalysed: 
(1) L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+).
(1) L-seryl-[tau protein] + ATP = O-phospho-L-seryl-[tau protein] + ADP +H(+).
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: 351 amino acids
Theoretical weight: 39.93 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: P49841 (Residues: 35-385; Coverage: 84%)
Gene name: GSK3B
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
Ligand CL 2 x CL
Ligand L7W 2 x L7W
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P212121
Unit cell:
a: 82.201Å b: 85.315Å c: 178.358Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.24 0.238 0.275
Expression system: Baculovirus expression vector pFastBac1-HM

Quick links

Citations

1 review citation

GSK-3β Allosteric Inhibition: A Dead End or a New Pharmacological Frontier?
Balboni et al. (2023)

1 mention without citation

Identification of Novel GSK-3β Hits Using Competitive Biophysical Assays.
Balboni et al. (2022)