Both piston-like and rotational motions are present in bacterial chemoreceptor signaling

Scientific Reports
Daqi YuLuhua Lai

Abstract

Bacterial chemotaxis signaling is triggered by binding of chemo-effectors to the membrane-bound chemoreceptor dimers. Though much is known about the structure of the chemoreceptors, details of the receptor dynamics and their effects on signaling are still unclear. Here, by using molecular dynamics simulations and principle component analysis, we study the dynamics of the periplasmic domain of aspartate chemoreceptor Tar dimer and its conformational changes when binding to different ligands (attractant, antagonist, and two attractant molecules). We found two dominant components (modes) in the receptor dynamics: a relative rotation of the two Tar monomers and a piston-like up-and-down sliding movement of the α4 helix. These two modes are highly correlated. Binding of one attractant molecule to the Tar dimer induced both significant piston-like downward movements of the α4 helix and strong relative rotations of the two Tar monomers, while binding of an antagonist or the symmetric binding of two attractant molecules to a Tar dimer suppresses both modes. The anti-symmetric effects of the relative rotation mode also explained the negative cooperativity between the two binding pockets. Our results suggest a mechanism of coupled rotati...Continue Reading

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Citations

Mar 29, 2016·Journal of Molecular Biology·Peter AmesJohn S Parkinson
Dec 29, 2015·PloS One·Patricia MoweryJohn S Parkinson
Oct 27, 2015·PLoS Computational Biology·Philipp S OrekhovHeinz-Jürgen Steinhoff
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Feb 19, 2019·Physical Chemistry Chemical Physics : PCCP·Miao YuZhirong Liu
Oct 27, 2017·Microbiology and Molecular Biology Reviews : MMBR·Álvaro OrtegaTino Krell
Apr 27, 2018·Open Biology·Kirsten JungJürgen Lassak
Jan 23, 2020·MBio·José Antonio GaviraTino Krell
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Jul 28, 2018·Nature Communications·Shuangyu BiVictor Sourjik
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Oct 7, 2020·The FEBS Journal·José Antonio GaviraTino Krell
Jan 23, 2020·Biophysical Journal·Adam R Podgorny, J Christian J Ray
Dec 17, 2019·Biophysical Journal·Asuka A OrrPhanourios Tamamis

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Methods Mentioned

BETA
PCA

Software Mentioned

GROMACS
ANM
AMBER
ProDy

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