› 2ow3

X-ray diffraction
2.8Å resolution

Glycogen synthase kinase-3 beta in complex with bis-(indole)maleimide pyridinophane inhibitor

Released:
DOI: 10.2210/pdb2ow3/pdb
PDB entry 2ow3 coloured by chain, front view.
PDB entry 2ow3 coloured by chain, side view.
PDB entry 2ow3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel bis(indolyl)maleimide pyridinophanes that are potent, selective inhibitors of glycogen synthase kinase-3.
Zhang HC, Boñaga LV, Ye H, Derian CK, Damiano BP, Maryanoff BE
Bioorg Med Chem Lett 17 2863-8 (2007)
PMID: 17350261

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:
  • not assigned
Sequence domains:
Structure domain:

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: 352 amino acids
Theoretical weight: 40.08 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P49841 (Residues: 35-386; Coverage: 84%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand BIM 2 x BIM
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 69.472Å b: 117.329Å c: 69.461Å
α: 90° β: 103.22° γ: 90°
R-values:
R R work R free
0.248 0.246 0.295
Expression system: Not provided

Quick links

Citations

5 review citations

The exploration of macrocycles for drug discovery--an underexploited structural class.
Driggers et al. (2008)
4 more

14 mentions without citation

Bisindolyl Maleimides and Indolylmaleimide Derivatives-A Review of Their Synthesis and Bioactivity.
Cooney et al. (2023)
13 more