| Project/Area Number |
23K14154
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| Research Category |
Grant-in-Aid for Early-Career Scientists
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| Allocation Type | Multi-year Fund |
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| Review Section |
Basic Section 43040:Biophysics-related
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
TRAN PHUOC・DUY 東京工業大学, 生命理工学院, 助教 (50848546)
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| Project Period (FY) |
2023-04-01 – 2025-03-31
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| Project Status |
Granted (Fiscal Year 2023)
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| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2024: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2023: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
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| Keywords | Flagellar motor stators / MotA/B / Molecular dynamics / PaCS-MD / Flagellar stator MotAB |
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| Outline of Research at the Start |
We’ll construct full-length models of Aquifex and E. coli MotA/B as well as Vibrio PomA/B based on the recently determined structures of the transmembrane region of MotA/B and already known structure of the periplasmic domain of MotB together with all-atom molecular dynamics simulation. Using these models and PaCS-MD/MSM, we’ll simulate permeation of sodium ion and proton through the complex with and without peptidoglycan layer and also simulate the rotation of MotA or PomA around MotB or PomB. After that, we’ll compare the mechanisms of MotA/B and PomA/B.
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| Outline of Annual Research Achievements |
We have thoroughly making the well-equilibrated Flagellar motors MotA/B of the Bacillus subtilis, Campilobacter Jejuni and Clostridium sporogenes by performing the multiple trials, long molecular dynamics simulation (MD). The MotA/B proteins are embeded on the lipid bilayer membrane alike to the bacteria membrane. After that, we have performed detailed analysis of the ions interacting to the MotA/B proteins. After that, we have used enhanced sampling technique to drive the ions moving from periplasm to cytoplasm. The results help us to distinguish key interaction residues on MotA/B proteins that help ions to go through periplasm to cytoplasm without being trapped.
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| Current Status of Research Progress |
Current Status of Research Progress
1: Research has progressed more than it was originally planned.
Reason
We have identified the ionic penetrating mechanism of the Bacillus subtilis MotA/B successfully and currently extend to complete for the other species.
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| Strategy for Future Research Activity |
In the future, we will remodel the full length of the MotB protein and identify the mechanism of the plug region as well as periplasmic domain of MotB contributing to the selectivity, ion penetrating or non-ion penetrating.
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