› 1ww2

X-ray diffraction
1.9Å resolution

Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-D-glucopyranosylamine and N-trifluoroacetyl-beta-D-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase

Released:
DOI: 10.2210/pdb1ww2/pdb
PDB entry 1ww2 coloured by chain, front view.
PDB entry 1ww2 coloured by chain, side view.
PDB entry 1ww2 coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-D-glucopyranosylamine and N-trifluoroacetyl-beta-D-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase.
Anagnostou E, Kosmopoulou MN, Chrysina ED, Leonidas DD, Hadjiloi T, Tiraidis C, Zographos SE, Györgydeák Z, Somsák L, Docsa T, Gergely P, Kolisis FN, Oikonomakos NG
Bioorg Med Chem 14 181-9 (2006)
PMID: 16213146

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 domain:

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: 97.29 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


Cofactor: Ligand PLP 1 x PLP
1 bound ligand:
Ligand NBG 1 x NBG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P43212
Unit cell:
a: 128.752Å b: 128.752Å c: 116.121Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.213

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Citations

1 review citation

Targeting Innate Immunity in Cancer Therapy.
Rameshbabu et al. (2021)
12 other articles

1 mention without citation

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Schuler et al. (2022)