Construction of hypothetical three-dimensional structure of P2Y1 receptor based on fourier transform analysis

Takeshi Hiramoto, Wataru Nemoto, Takeshi Kikuchi, Norihisa Fujita

Research output: Contribution to journalArticle

13 Scopus citations

Abstract

G protein-coupled receptors constitute a large family of homologous transmembrane proteins that represents one of the most important classes of confirmed drug targets. For novel drug discovery, the 3D structure of target protein is indispensable. To construct hypothetical 3D structures of G protein-coupled receptors, several prediction methods have been proposed. But none of the them has confirmed a correct ligand binding site. In this study we constructed the 3D structure of bovine rhodopsin using the prediction method proposed by Donnelly et al., with some modification. We found that our 3D model showed a good agreement with the reported retinal binding site. Using the similar method, we constructed the 3D structure of the P2Y1 receptor; one of the G protein-coupled receptors, and showed a binding site of an endogenous ligand, ADP, on the basis of the 3D model and in vitro experimental data. These results should be valuable for design of a specific antagonist for P2Y1 receptor.

Original languageEnglish (US)
Pages (from-to)537-545
Number of pages9
JournalJournal of Protein Chemistry
Volume21
Issue number8
DOIs
StatePublished - Nov 1 2002

Keywords

  • Fourier transform
  • GPCR
  • P2Y receptor
  • Protein modeling
  • Secondary structure prediction

ASJC Scopus subject areas

  • Biochemistry

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