• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to project page

2023 Fiscal Year Research-status Report

Ion permeation and rotation mechanisms in bacterial flagellar motor stators

Research Project

Project/Area Number 23K14154
Research InstitutionTokyo Institute of Technology

Principal Investigator

TRAN PHUOC・DUY  東京工業大学, 生命理工学院, 助教 (50848546)

Project Period (FY) 2023-04-01 – 2025-03-31
KeywordsFlagellar motor stators / MotA/B / Molecular dynamics
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.

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.

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.

  • Research Products

    (3 results)

All 2024 2023

All Journal Article (1 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 1 results) Presentation (2 results) (of which Int'l Joint Research: 1 results)

  • [Journal Article] PaCS-Toolkit: Optimized Software Utilities for Parallel Cascade Selection Molecular Dynamics (PaCS-MD) Simulations and Subsequent Analyses2024

    • Author(s)
      Ikizawa Shinji、Hori Tatsuki、Wijaya Tegar Nurwahyu、Kono Hiroshi、Bai Zhen、Kimizono Tatsuhiro、Lu Wenbo、Tran Duy Phuoc、Kitao Akio
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 128 Pages: 3631~3642

    • DOI

      10.1021/acs.jpcb.4c01271

    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Simulating ion permeation through the flagellar motor stator MotA/B protein complexes2024

    • Author(s)
      Duy Phuoc Tran, Akio Kitao
    • Organizer
      Flagellar Meeting 2023
  • [Presentation] How the bacterial Flagellar Motor stator works: an insight from molecular dynamics simulation2023

    • Author(s)
      Duy Phuoc Tran, Akio Kitao
    • Organizer
      The 34th IUPAP Conference on Computational Physiscs
    • Int'l Joint Research

URL: 

Published: 2024-12-25  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi