› 5t31

X-ray diffraction
2.85Å resolution

Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia

Released:
DOI: 10.2210/pdb5t31/pdb
PDB entry 5t31 coloured by chain, front view.
PDB entry 5t31 coloured by chain, side view.
PDB entry 5t31 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Wagner FF, Benajiba L, Campbell AJ, Weïwer M, Sacher JR, Gale JP, Ross L, Puissant A, Alexe G, Conway A, Back M, Pikman Y, Galinsky I, DeAngelo DJ, Stone RM, Kaya T, Shi X, Robers MB, Machleidt T, Wilkinson J, Hermine O, Kung A, Stein AJ, Lakshminarasimhan D, Hemann MT, Scolnick E, Zhang YL, Pan JQ, Stegmaier K, Holson EB
Sci Transl Med 10 (2018)
PMID: 29515000

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

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: 420 amino acids
Theoretical weight: 46.9 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

1 bound ligand:
Ligand 6VL 2 x 6VL
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: C2
Unit cell:
a: 107.957Å b: 84.223Å c: 117.218Å
α: 90° β: 94.69° γ: 90°
R-values:
R R work R free
0.2 0.196 0.268
Expression system: Spodoptera frugiperda

Quick links

Citations

14 review citations

Tau strains shape disease.
Vaquer-Alicea et al. (2021)
13 more

2 mentions without citation

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