› 4j71

X-ray diffraction
2.31Å resolution

Crystal Structure of GSK3b in complex with inhibitor 1R

Released:
DOI: 10.2210/pdb4j71/pdb
PDB entry 4j71 coloured by chain, front view.
PDB entry 4j71 coloured by chain, side view.
PDB entry 4j71 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Zhan C, Wang Y, Wach J, Sheehan P, Zhong C, Harris R, Patskovsky Y, Bishop J, Haggarty S, Ramek A, Berry K, O'Herin C, Koehler AN, Hung AW, Young DW, Almo SC, New York Structural Genomics Research Consortium (NYSGRC)

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: 424 amino acids
Theoretical weight: 47.18 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P49841 (Residues: 1-420; Coverage: 100%)
Gene name: GSK3B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 1JX 2 x 1JX
Ligand SO4 3 x SO4
Ligand CL 1 x CL
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P1
Unit cell:
a: 63.38Å b: 67.116Å c: 67.44Å
α: 99.8° β: 102.94° γ: 89.94°
R-values:
R R work R free
0.191 0.19 0.234
Expression system: Trichoplusia ni

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