[논문]Dynamic characteristics of a flagellar motor protein analyzed using an elastic network model

Choi, Moon-ki; Jo, Soojin; Lee, Byung Ho; Kim, Min Hyeok; Choi, Jae Boong; Kim, Kyunghoon; Kim, Moon Ki

doi:10.1016/j.jmgm.2017.10.001

[해외논문] Dynamic characteristics of a flagellar motor protein analyzed using an elastic network model

Journal of molecular graphics & modelling, v.78, 2017년, pp.81 - 87

Choi, Moon-ki (School of Mechanical Engineering, Sungkyunkwan University, Suwon, 16419, Korea) , Jo, Soojin (School of Mechanical Engineering, Sungkyunkwan University, Suwon, 16419, Korea) , Lee, Byung Ho (School of Mechanical Engineering, Sungkyunkwan University, Suwon, 16419, Korea) , Kim, Min Hyeok (Korea Institute for Advanced Study, Seoul, 02455, Korea) , Choi, Jae Boong (School of Mechanical Engineering, Sungkyunkwan University, Suwon, 16419, Korea) , Kim, Kyunghoon (School of Mechanical Engineering, Sungkyunkwan University, Suwon, 16419, Korea) , Kim, Moon Ki (School of Mechanical Engineering, Sungkyunkwan University, Suwon, 16419, Korea)

Abstract ▼ AI-Helper

At the base of a flagellar motor, its rotational direction and speed are regulated by the interaction between rotor and stator proteins. A switching event occurs when the cytoplasmic rotor protein, called C-ring, changes its conformation in response to binding of the CheY signal protein. The C-ring structure consists of FIiG, FliM, and FliN proteins and its conformational changes in FliM and FIiG including lielixmc play an important role in switching the motor direction. Therefore, clarifying their dynamic properties as well as conformational changes is a key to understanding the switching mechanism of the motor protein. In this study, to elucidate dynamic characteristics of the C-ring structure, both harmonic (intrinsic vibration) and anharmonic (transition pathway) analyses are conducted by using the symmetry-constrained elastic network model. As a result, the first three normal modes successfully capture the essence of transition pathway from wild type to CW-biased state. Their cumulative square overlap value reaches up to 0.842. Remarkably, it is also noted from the transition pathway that the cascade of interactions from the signal protein to FliM to FliG, highlighted by the major mode shapes from the first three normal modes, induces the reorientation (similar to 100 rotation of FliGc5) of FIiG C-terminal that directly interacts with the stator protein. Presumably, the rotational direction of the motor protein is switched by this substantial change in the stator-rotor interaction. (C) 2017 Elsevier Inc. All rights reserved.

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참고문헌 (31)

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[해외논문] Dynamic characteristics of a flagellar motor protein analyzed using an elastic network model

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[해외논문] Dynamic characteristics of a flagellar motor protein analyzed using an elastic network model

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