ニュース

2015年12月28日 掲載 (Published 12/28/2015)


「Biophysics and Physicobiology」に Go Watanabe et al. “Analysis of water channels by molecular dynamics simulation of heterotetrameric sarcosine oxidase”を掲載

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。

Go Watanabe, Daisuke Nakajima, Akinori Hiroshima, Haruo Suzuki, and Shigetaka Yoneda 
“Analysis of water channels by molecular dynamics simulation of heterotetrameric sarcosine oxidase”

【Significance】
Analysis of Water Channels by Molecular Dynamics Simulation of Heterotetrameric Sarcosine Oxidase

The enzyme reaction in the heterotetrameric sarcosine oxidase (HSO) has been postulated to accompany the transport of the substrates and products through the selected tunnels in HSO. In this article, a simulation of HSO in aquo was performed to determine the water region in HSO, and the region was classified into the channels by cluster analysis. The properties of the channels connecting the inner cavity and the outer region of HSO were consistent with the selective transport hypothesis whereby tunnel T3 is the pathway for the exit of the iminium intermediate of the enzyme reaction. The new channels connecting the site near the cofactor, NAD+, and the outer region may give a way to unveil the role of NAD+ in the enzyme, since its role is not known yet.


Biophysics and Physicobiology, Vol.12, pp. 131-138

URL:http://doi.org/10.2142/biophysico.12.0_131