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MolNFT v1 · #191249 · protein

Human glycogenin-1 and glycogen synthase-1 complex in the presence of glucose-6-phosphate

8CVX · Glycogen [starch] synthase, muscle: “Human glycogenin-1 and glycogen synthase-1 complex in the presence of glucose-6-phosphate”. Electron microscopy, 1 ligand (G6P), 20 pockets (best druggability 0.65). MolNFT v1 #191249 on…

PDB
8CVX
Type
protein
Length
2,541 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycogen [starch] synthase, muscle; Glycogenin-1
EC
2.4.1.11, 2.4.1.186
UniProt
P13807, P46976
Ligands
G6P
Pockets
20 · best druggability 0.65

Structure

electron microscopy · 4 distinct chains · 46% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycogen [starch] synthase, muscle (EC 2.4.1.11)protein60246% helix, 14% strandP13807
E, HGlycogenin-1 (EC 2.4.1.186)protein3358% helix, 0% strandP46976
G, FGlycogenin-1 (EC 2.4.1.186)protein3259% helix, 0% strandP46976
B, D, CGlycogen [starch] synthase, muscle (EC 2.4.1.11)protein60345% helix, 13% strandP13807

Ligands and binding sites

  • G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · 4 copies · chains A, C, B, D

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

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15300.650.7752empty
25700.630.7561empty
35040.620.7548empty
43600.620.7840empty
53930.620.7745empty

Interfaces

10 interfaces between chains.

  • A–D · 1667 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 1641 Ų buried · 7 hydrogen bonds · protein-protein
  • H–D · 1193 Ų buried · 12 hydrogen bonds · protein-protein
  • A–E · 1154 Ų buried · 9 hydrogen bonds · protein-protein
  • F–B · 1144 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 8CVX · Human glycogenin-1 and glycogen synthase-1 complex in the presence of glucose-6-phosphate · the same entry in another collection · chain C against C, TM-score 1.00
  • P13807 · AlphaFold monomer V2.0 prediction for glycogen [starch] synthase, muscle (P13807) · a predicted model of the same protein · chain A against A, TM-score 0.98

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