› 3mrv

X-ray diffraction
1.94Å resolution

Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone

Released:
DOI: 10.2210/pdb3mrv/pdb
PDB entry 3mrv coloured by chain, front view.
PDB entry 3mrv coloured by chain, side view.
PDB entry 3mrv coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
The binding of β-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors.
Alexacou KM, Tenchiu Deleanu AC, Chrysina ED, Charavgi MD, Kostas ID, Zographos SE, Oikonomakos NG, Leonidas DD
Bioorg Med Chem 18 7911-22 (2010)
PMID: 20947361

Function and Biology Details

Reaction catalysed: 
((1->4)-alpha-D-glucosyl)(n) + phosphate = ((1->4)-alpha-D-glucosyl)(n-1) + alpha-D-glucose 1-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132556 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycogen phosphorylase, muscle form Chain: A
Molecule details ›
Chain: A
Length: 842 amino acids
Theoretical weight: 97.52 KDa
Source organism: Oryctolagus cuniculus
UniProt:
  • Canonical: P00489 (Residues: 2-843; Coverage: 100%)
Gene name: PYGM
Sequence domains: Carbohydrate phosphorylase
Structure domains: Glycogen Phosphorylase B;

Ligands and Environments

2 bound ligands:
Ligand 16F 2 x 16F
Ligand DMS 1 x DMS
1 modified residue:
Ligand LLP 1 x LLP

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX10.1
Spacegroup: P43212
Unit cell:
a: 128.866Å b: 128.866Å c: 116.324Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.216

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Citations

1 review citation

Glycogen phosphorylase inhibitors: a patent review (2008 - 2012).
Gaboriaud-Kolar et al. (2013)
13 other articles