PDBe 3l1s

X-ray diffraction
2.9Å resolution

3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3

Released:

Function and Biology Details

Reactions catalysed:
ATP + a protein = ADP + a phosphoprotein. 
ATP + [tau protein] = ADP + [tau protein] phosphate. 
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycogen synthase kinase-3 beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 414 amino acids
Theoretical weight: 46.11 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P49841 (Residues: 7-420; Coverage: 99%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 82.6Å b: 84.8Å c: 178Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.232
Expression system: Trichoplusia ni