Comparative Analyses of the Conformational Dynamics Between the Soluble and Membrane-Bound Cytokine Receptors.

ABSTRACT: Cytokine receptors receive extracellular cues by binding with cytokines to transduce a signaling cascade leading to gene transcription in cells. Their soluble isoforms, functioning as decoy receptors, contain only the ectodomain. Whether the ectodomains of cytokine receptors at the membrane exhibit different conformational dynamics from their soluble forms is unknown. Using Stimulation-2 (ST2) as an example, we performed microsecond molecular dynamics (MD) simulations to study the conformational dynamics of the soluble and the membrane-bound ST2 (sST2 and ST2). Combined use of accelerated and conventional MD simulations enabled extensive sampling of the conformational space of sST2 for comparison with ST2. Using the interdomain loop conformation as the reaction coordinate, we built a Marko

SUBMITTER: Yang CY 

PROVIDER: S-EPMC7198498 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature