「Biophysics and Physicobiology」に 〈Special Issue: "Protein-Ligand Interactions"〉 Junko Taguchi et al. “Dynamic profile analysis to characterize dynamics-driven allosteric sites in enzymes”を掲載

2016年07月15日 学会誌

日本生物物理学会欧文誌［Biophysics and Physicobiology］に以下の論文が新規掲載されました。

Junko Taguchi, Akio Kitao
“Dynamic profile analysis to characterize dynamics-driven allosteric sites in enzymes”

【Significance】
Dynamic Profile Analysis to Characterize Dynamics-driven Allosteric Sites in Enzyme

The dynamic features of non-trivial allosteric binding sites were examined to elucidate potential drug binding sites. After comprehensive search in the Protein Data Bank, we identified 10 complex structures with allosteric ligands that do not cause significant conformational change. 101 complex models were generated to fill out possible pockets on the protein surface and normal mode analysis of the elastic network model was performed to examine the change of protein dynamics induced by ligand binding. We found the change of fluctuation around the ligand as the best profile for distinguishing the allosteric sites from the others.


Biophysics and Physicobiology, Vol.13, pp. 117-126


URL:https://www.jstage.jst.go.jp/article/biophysico/13/0/13_117/_article

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