› 4nu1

X-ray diffraction
2.5Å resolution

Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide

Released:
DOI: 10.2210/pdb4nu1/pdb
PDB entry 4nu1 coloured by chain, front view.
PDB entry 4nu1 coloured by chain, side view.
PDB entry 4nu1 coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Stamos JL, Chu ML, Enos MD, Shah N, Weis WI
Elife 3 e01998 (2014)
PMID: 24642411

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127345 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Glycogen synthase kinase-3 beta Chain: A
Molecule details ›
Chain: A
Length: 389 amino acids
Theoretical weight: 44.26 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9WV60 (Residues: 1-383; Coverage: 91%)
Gene name: Gsk3b
Sequence domains: Protein kinase domain
Structure domains:
Axin-1 Chain: B
Molecule details ›
Chain: B
Length: 24 amino acids
Theoretical weight: 2.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O15169 (Residues: 383-402; Coverage: 2%)
Gene names: AXIN, AXIN1

Ligands and Environments

5 bound ligands:
Ligand GOL 2 x GOL
Ligand MG 2 x MG
Ligand ADP 1 x ADP
Ligand AF3 1 x AF3
Ligand NO3 1 x NO3
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P6122
Unit cell:
a: 80.997Å b: 80.997Å c: 280.53Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.191 0.245
Expression system: Escherichia coli

Quick links

Citations

33 review citations

Wnt/β-Catenin Signaling, Disease, and Emerging Therapeutic Modalities.
Nusse et al. (2017)
32 more

3 mentions without citation

Role of GSK-3β Inhibitors: New Promises and Opportunities for Alzheimer's Disease.
Shri et al. (2023)
2 more