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TitleSourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Journal, issue, pagesFood Chem. Toxicol., Vol. 61, Page 14-27, Year 2013
Publish dateAug 28, 2008 (structure data deposition date)
AuthorsTsitsanou, K.E. / Hayes, J.M. / Keramioti, M. / Mamais, M. / Oikonomakos, N.G. / Kato, A. / Leonidas, D.D. / Zographos, S.E.
External linksFood Chem. Toxicol. / PubMed:23279842
MethodsX-ray diffraction
Resolution1.9 - 2 Å
Structure data

PDB-3ebo:
Glycogen Phosphorylase b/Chrysin complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3ebp:
Glycogen Phosphorylase b/flavopiridol complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-57D:
chrysin

ChemComp-HOH:
WATER

ChemComp-CPB:
2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE / inhibitor, alkaloid*YM

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / glycogen phosphorylase / catalytic site / rational inhibitor design / glycogenolysis / diabetes type 2 / Allosteric enzyme / Carbohydrate metabolism / Glycogen metabolism / Glycosyltransferase / Nucleotide-binding / Phosphoprotein / Pyridoxal phosphate / TRANSFERASE-TRANSFERASE INHIBITOR complex

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