期刊文献+
共找到1篇文章
< 1 >
每页显示 20 50 100
SARS-CoV-2 spike variants differ in their allosteric responses to linoleic acid
1
作者 A.Sofia F.Oliveira Deborah K.Shoemark +3 位作者 Andrew D.Davidson Imre Berger Christiane Schaffitzel adrian j.mulholland 《Journal of Molecular Cell Biology》 SCIE CAS CSCD 2023年第3期55-66,共12页
The SARS-CoV-2 spike protein contains a functionally important fatty acid(FA)binding site,which is also found in some other coronaviruses,e.g.SARS-CoV and MERS-CoV.The occupancy of the FA site by linoleic acid(LA)redu... The SARS-CoV-2 spike protein contains a functionally important fatty acid(FA)binding site,which is also found in some other coronaviruses,e.g.SARS-CoV and MERS-CoV.The occupancy of the FA site by linoleic acid(LA)reduces infectivity by‘locking’the spike in a less infectious conformation.Here,we use dynamical-nonequilibrium molecular dynamics(D-NEMD)simulations to compare the allosteric responses of spike variants to LA removal.D-NEMD simulations show that the FA site is coupled to other functional regions of the protein,e.g.the receptor-binding motif(RBM),N-terminal domain(NTD),furin cleavage site,and regions surrounding the fusion peptide.D-NEMD simulations also identify the allosteric networks connecting the FA site to these functional regions.The comparison between the wild-type spike and four variants(Alpha,Delta,Delta plus,and Omicron BA.1)shows that the variants differ significantly in their responses to LA removal.The allosteric connections to the FA site on Alpha are generally similar to those on the wild-type protein,with the exception of the RBM and the S71–R78 region,which show a weaker link to the FA site.In contrast,Omicron is the most different variant,exhibiting significant differences in the RBM,NTD,V622–L629,and furin cleavage site.These differences in the allosteric modulation may be of functional relevance,potentially affecting transmissibility and virulence.Experimental comparison of the effects of LA on SARS-CoV-2 variants,including emerging variants,is warranted. 展开更多
关键词 SARS-CoV-2 spike allosteric modulation D-NEMD simulations fatty acid binding site SARS-CoV-2 variants
原文传递
上一页 1 下一页 到第
使用帮助 返回顶部