|Budget Amount *help
¥44,200,000 (Direct Cost: ¥34,000,000、Indirect Cost: ¥10,200,000)
Fiscal Year 2013: ¥8,580,000 (Direct Cost: ¥6,600,000、Indirect Cost: ¥1,980,000)
Fiscal Year 2012: ¥8,060,000 (Direct Cost: ¥6,200,000、Indirect Cost: ¥1,860,000)
Fiscal Year 2011: ¥8,060,000 (Direct Cost: ¥6,200,000、Indirect Cost: ¥1,860,000)
Fiscal Year 2010: ¥19,500,000 (Direct Cost: ¥15,000,000、Indirect Cost: ¥4,500,000)
The purpose of the study is to construct a new theory to describe the conduction mechanism and the ion selectivity of the ion channels in molecular detail. Main results of the study are as follows. (1) Analyses based on 3D-RISM for the distribution of water and ions (Li+, Na+, K+) in the selective filter of the potassium channel (KcsA) have revealed that all the ions are bound in the filter region, that the binding modes are quite different from each other, and that the ion selectivity is originated from the difference in the binding modes. (2) We have derived new equations to describe the structural fluctuation of channel protein, which play crucial role in the gating of a channel, combining the 3D-RISM theory with the generalized Langevin theory.