| Budget Amount *help |
¥16,900,000 (Direct Cost: ¥13,000,000、Indirect Cost: ¥3,900,000)
Fiscal Year 2018: ¥6,630,000 (Direct Cost: ¥5,100,000、Indirect Cost: ¥1,530,000)
Fiscal Year 2017: ¥6,630,000 (Direct Cost: ¥5,100,000、Indirect Cost: ¥1,530,000)
Fiscal Year 2016: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
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| Outline of Final Research Achievements |
Molecular mechanism of the signal transduction at the atomic level during the real time course is the problem to be solved in this study. We used the techniques of the molecular simulation. As the target system of the study is the guanine nucleotide exchange reaction occurring in Ras bound to SOS. Long molecular dynamics simulations of the SOS-Ras complex clarified that the key trigger to the domain motions in SOS is the binding of another Ras to the allosteric site located between the Rem domain and the Cdc25 domain in SOS. The resultant domain motions cause the significant motion of the helical hairpin near catalytic Ras, which in turn open up the switch 1 of Ras to release the bound GDP molecule. The relay of the motions is the molecular mechanism of the reaction, i.e., binding of allosteric Ras → domain motion of SOS → motion of helical hairpin → motion of switch 1 of Ras → the release of GDP.
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