› 4iq6

X-ray diffraction
3.12Å resolution

Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

Released:
DOI: 10.2210/pdb4iq6/pdb
PDB entry 4iq6 coloured by chain, front view.
PDB entry 4iq6 coloured by chain, side view.
PDB entry 4iq6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
Tong Y, Stewart KD, Florjancic AS, Harlan JE, Merta PJ, Przytulinska M, Soni N, Swinger KK, Zhu H, Johnson EF, Shoemaker AR, Penning TD
ACS Med Chem Lett 4 211-5 (2013)
PMID: 24900653

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: 426 amino acids
Theoretical weight: 47.34 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 IQ6 2 x IQ6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 82.835Å b: 84.991Å c: 178.058Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.227
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Recent advances of pyrrolopyridines derivatives: a patent and literature review.
El-Gamal et al. (2017)
8 other articles

6 mentions without citation

The azaindole framework in the design of kinase inhibitors.
Mérour et al. (2014)
5 more