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10.1021/acs.jpclett.0c01431

http://scihub22266oqcxt.onion/10.1021/acs.jpclett.0c01431
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32787330!ä!32787330

suck abstract from ncbi


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pmid32787330      J+Phys+Chem+Lett 2020 ; 11 (17): 7021-7027
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  • Dynamic Asymmetry Exposes 2019-nCoV Prefusion Spike #MMPMID32787330
  • Roy S; Jaiswar A; Sarkar R
  • J Phys Chem Lett 2020[Sep]; 11 (17): 7021-7027 PMID32787330show ga
  • The 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 symmetry-information-loaded structure-based Hamiltonian is developed using recent Cryo-EM structural data to explore the complete conformational energy landscape of the full-length prefusion spike protein. The study finds the 2019-nCoV prefusion spike to adopt a unique strategy by undertaking a dynamic conformational asymmetry that results in two prevalent asymmetric structures of spike where one or two spike heads rotate up to provide better exposure to the host-cell receptor. A few unique interchain interactions are identified at the interface of closely associated N-terminal domain (NTD) and receptor binding domain (RBD) playing a crucial role in the thermodynamic stabilization of the up conformation of the RBD in the case of the 2019-nCoV spike. The interaction-level information decoded in this study may provide deep insight into developing effective therapeutic targets.
  • |Models, Molecular[MESH]
  • |Protein Domains[MESH]
  • |Spike Glycoprotein, Coronavirus/*chemistry/*metabolism[MESH]


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