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Crystal structure of the glycogen phosphorylase B / ethyl-N-(beta-D- GLUCOPYRANOSYL)OXAMATE complex

Analyse Crystal structure of the glycogen phosphorylase B / ethyl-N-(beta-D… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2F3S
Type
protein
Length
810 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycogen phosphorylase, muscle form
EC
2.4.1.1
UniProt
P00489
Ligands
PLP, 7GP
Pockets
12 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycogen phosphorylase, muscle form (EC 2.4.1.1)protein81053% helix, 15% strandP00489

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A
  • 7GP · N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine · ligand · chains A

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12890.850.9649PLP, 7GP
21320.790.9638empty
32660.690.8439empty
41180.540.8218empty
52020.520.7719empty

Modifications

Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).

Compared structures

  • 2F3S · Crystal Structure of the glycogen phosphorylase B /… · the same entry in another collection · chain A against A, TM-score 1.00

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