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Glycogen synthase kinase 3 beta complexed with axin peptide and inhibitor 7D

Analyse Glycogen synthase kinase 3 beta complexed with axin peptide and inhibitor 7D in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZDI
Type
protein
Length
366 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycogen synthase kinase-3 beta; Axin-1
EC
2.7.11.26, 2.7.11.1
UniProt
P49841, O15169
Ligands
UGJ, PO4
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycogen synthase kinase-3 beta (EC 2.7.11.26, 2.7.11.1)protein34935% helix, 20% strandP49841
BAxin-1protein1776% helix, 0% strandO15169

Ligands and binding sites

  • UGJ · 3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile · ligand · chains A
  • PO4 · Phosphate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12000.620.8230UGJ
21260.400.7529empty
3580.390.8020empty
4650.310.7516empty

Interfaces

1 interface between chains.

  • A–B · 706 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 3ZDI · Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Inhibitor 7d · the same entry in another collection · chain A against A, TM-score 1.00
  • O15169 · AlphaFold monomer V2.0 prediction for axin-1 (O15169) · a predicted model of the same protein · chain B against A, TM-score 0.56

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