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Maltodextran bound basal state conformation of yeast glycogen synthase isoform 2

Analyse Maltodextran bound basal state conformation of yeast glycogen synthase isoform 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3RSZ
Type
protein
Length
2,455 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycogen [starch] synthase isoform 2
EC
2.4.1.11
UniProt
P27472
Ligands
GLC, SO4
Pockets
20 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlycogen [starch] synthase isoform 2 (EC 2.4.1.11)protein61150% helix, 15% strandP27472
C, DGlycogen [starch] synthase isoform 2 (EC 2.4.1.11)protein61351% helix, 15% strandP27472
EGlycogen [starch] synthase isoform 2protein20% helix, 0% strand—
FGlycogen [starch] synthase isoform 2protein560% helix, 0% strand—

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 16 copies · chains A, B
  • SO4 · Sulfate ion · ion · 16 copies · chains A, D, B, C, F

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

Pockets

20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111240.740.77101SO4
210450.730.7682SO4
38000.730.7871SO4
49580.720.7682SO4
54670.610.7650empty

Interfaces

8 interfaces between chains.

  • A–C · 1189 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 1188 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 958 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 886 Ų buried · 4 hydrogen bonds · protein-protein
  • D–F · 283 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3RSZ · Maltodextran bound basal state conformation of yeast glycogen synthase isoform 2 · the same entry in another collection · chain B against B, TM-score 1.00
  • P27472 · AlphaFold monomer V2.0 prediction for glycogen [starch] synthase isoform 2 (P27472) · a predicted model of the same protein · chain A against A, TM-score 0.99

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