› 3say

X-ray diffraction
2.23Å resolution

Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142

Released:
DOI: 10.2210/pdb3say/pdb
PDB entry 3say coloured by chain, front view.
PDB entry 3say coloured by chain, side view.
PDB entry 3say coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Mazanetz MP, Cheng RKY, Rowan F, Laughton CA, Barker JJ, Fischer PM

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: 430 amino acids
Theoretical weight: 48.23 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

4 bound ligands:
Ligand OFT 2 x OFT
Ligand MLA 2 x MLA
Ligand FMT 1 x FMT
Ligand MPD 1 x MPD
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21
Unit cell:
a: 67.52Å b: 110.78Å c: 67.91Å
α: 90° β: 97.08° γ: 90°
R-values:
R R work R free
0.202 0.2 0.23
Expression system: Spodoptera frugiperda

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