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Human liver glycogen phosphorylase a complexed with riboflavin, N- acetyl-beta-D-glucopyranosylamine and cp-403,700

Analyse Human liver glycogen phosphorylase a complexed with riboflavin, N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1L5R
Type
protein
Length
1,581 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycogen phosphorylase, liver form
EC
2.4.1.1
UniProt
P06737
Ligands
PLP, NBG, 700, RBF
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycogen phosphorylase, liver form (EC 2.4.1.1)protein79054% helix, 15% strandP06737
BGlycogen phosphorylase, liver form (EC 2.4.1.1)protein79153% helix, 15% strandP06737

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
  • NBG · N-acetyl-beta-D-glucopyranosylamine · ligand · chains A
  • 700 · [5-chloro-1H-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid · ligand · chains A, B
  • RBF · Riboflavin · ligand · chains A
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111720.850.8682700
22910.850.9656PLP
32760.840.9551NBG, PLP
41240.780.9639empty
53130.690.8324MRD

Interfaces

1 interface between chains.

  • A–B · 2379 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).

Compared structures

  • 1L5R · Human liver glycogen phosphorylase a complexed with riboflavin… · the same entry in another collection · chain A against A, TM-score 1.00
  • P06737 · AlphaFold monomer V2.0 prediction for glycogen phosphorylase, liver form (P06737) · a predicted model of the same protein · chain A against A, TM-score 0.99

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