› 4cto

X-ray diffraction
1.9Å resolution

Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods

Released:
DOI: 10.2210/pdb4cto/pdb
PDB entry 4cto coloured by chain, front view.
PDB entry 4cto coloured by chain, side view.
PDB entry 4cto coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Glucopyranosylidene-spiro-iminothiazolidinone, a new bicyclic ring system: synthesis, derivatization, and evaluation for inhibition of glycogen phosphorylase by enzyme kinetic and crystallographic methods.
Czifrák K, Páhi A, Deák S, Kiss-Szikszai A, Kövér KE, Docsa T, Gergely P, Alexacou KM, Papakonstantinou M, Leonidas DD, Zographos SE, Chrysina ED, Somsák L
Bioorg Med Chem 22 4028-41 (2014)
PMID: 25009003

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: 843 amino acids
Theoretical weight: 97.42 KDa
Source organism: Oryctolagus cuniculus
UniProt:
  • Canonical: P00489 (Residues: 1-843; Coverage: 100%)
Gene name: PYGM
Sequence domains: Carbohydrate phosphorylase
Structure domains: Glycogen Phosphorylase B;

Ligands and Environments


Cofactor: Ligand PLP 1 x PLP
2 bound ligands:
Ligand M7C 1 x M7C
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX10.1
Spacegroup: P43212
Unit cell:
a: 128.04Å b: 128.04Å c: 115.77Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.193

Quick links

Citations

4 citation in other articles

Glucose-derived spiro-isoxazolines are anti-hyperglycemic agents against type 2 diabetes through glycogen phosphorylase inhibition.
Goyard et al. (2016)
3 more