› 3pup

X-ray diffraction
2.99Å resolution

Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1)

Released:
DOI: 10.2210/pdb3pup/pdb
PDB entry 3pup coloured by chain, front view.
PDB entry 3pup coloured by chain, side view.
PDB entry 3pup coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
Feng L, Geisselbrecht Y, Blanck S, Wilbuer A, Atilla-Gokcumen GE, Filippakopoulos P, Kräling K, Celik MA, Harms K, Maksimoska J, Marmorstein R, Frenking G, Knapp S, Essen LO, Meggers E
J Am Chem Soc 133 5976-86 (2011)
PMID: 21446733

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 analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
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: 420 amino acids
Theoretical weight: 46.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49841 (Residues: 1-420; Coverage: 100%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand OS1 2 x OS1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P212121
Unit cell:
a: 83.32Å b: 84.3Å c: 178.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.204 0.249
Expression system: Escherichia coli

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Citations

25 review citations

The development of anticancer ruthenium(ii) complexes: from single molecule compounds to nanomaterials.
Zeng et al. (2017)
24 more

9 mentions without citation

GSK3α: An Important Paralog in Neurodegenerative Disorders and Cancer.
Silva-García et al. (2020)
8 more