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Yeast glycogen synthase (GSY2P) basal state conformation

Analyse Yeast glycogen synthase (GSY2P) basal state conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3NCH
Type
protein
Length
2,448 residues
Chains
4
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
SO4
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycogen [starch] synthase isoform 2 (EC 2.4.1.11)protein61149% helix, 15% strandP27472
B, DGlycogen [starch] synthase isoform 2 (EC 2.4.1.11)protein61249% helix, 15% strandP27472
CGlycogen [starch] synthase isoform 2 (EC 2.4.1.11)protein61351% helix, 15% strandP27472

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 15 copies · chains A, D, B, C

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19990.730.7697SO4
29310.730.7784SO4
38090.700.7679SO4
47540.700.7668SO4
55090.630.7665empty

Interfaces

5 interfaces between chains.

  • A–C · 1173 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 1166 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 1015 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 949 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 181 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3NCH · Yeast Glycogen Synthase (Gsy2p) Basal State Conformation · the same entry in another collection · chain A against A, 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 B against A, TM-score 0.98

Analyse

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