Dynamical asymmetry exposes 2019-nCoV prefusion spike

Author:

Roy SusmitaORCID

Abstract

AbstractThe novel coronavirus (2019-nCoV) spike protein is a smart molecular machine that instigates the entry of coronavirus to the host cell causing the COVID-19 pandemic. In this study, a structural-topology based model Hamiltonian of C3 symmetric trimeric spike is developed to explore its complete conformational energy landscape using molecular dynamic simulations. The study finds 2019-nCoV to adopt a unique strategy by undertaking a dynamic conformational asymmetry induced by a few unique inter-chain interactions. This results in two prevalent asymmetric structures of spike where one or two spike heads lifted up undergoing a dynamic transition likely to enhance rapid recognition of the host-cell receptor turning on its high-infectivity. The crucial interactions identified in this study are anticipated to potentially affect the efficacy of therapeutic targets.One Sentence SummaryInter-chain-interaction driven rapid symmetry breaking strategy adopted by the prefusion trimeric spike protein likely to make 2019-nCoV highly infective.

Publisher

Cold Spring Harbor Laboratory

Reference71 articles.

1. in Microbial Evolution and Co-Adaptation: A Tribute to the Life and Scientific Legacies of Joshua Lederberg: Workshop Summary. (Washington (DC), 2009).

2. W. H. McNeill , Plagues and peoples. (Anchor Books, New York, 1998), pp. 365 p.

3. SARS-CoV-2: an Emerging Coronavirus that Causes a Global Threat;International journal of biological sciences,2020

4. Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission;Science China. Life sciences,2020

5. T. T. Lam et al., Identifying SARS-CoV-2 related coronaviruses in Malayan pangolins. Nature, (Mar 26, 2020).

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