Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
SARS-CoV-2
conformational flexibility
cryo-electron microscopy
image processing
spike
Journal
IUCrJ
ISSN: 2052-2525
Titre abrégé: IUCrJ
Pays: England
ID NLM: 101623101
Informations de publication
Date de publication:
29 Sep 2020
29 Sep 2020
Historique:
received:
23
07
2020
accepted:
18
09
2020
entrez:
16
10
2020
pubmed:
17
10
2020
medline:
17
10
2020
Statut:
aheadofprint
Résumé
Using a new consensus-based image-processing approach together with principal component analysis, the flexibility and conformational dynamics of the SARS-CoV-2 spike in the prefusion state have been analysed. These studies revealed concerted motions involving the receptor-binding domain (RBD), N-terminal domain, and subdomains 1 and 2 around the previously characterized 1-RBD-up state, which have been modeled as elastic deformations. It is shown that in this data set there are not well defined, stable spike conformations, but virtually a continuum of states. An ensemble map was obtained with minimum bias, from which the extremes of the change along the direction of maximal variance were modeled by flexible fitting. The results provide a warning of the potential image-processing classification instability of these complicated data sets, which has a direct impact on the interpretability of the results.
Identifiants
pubmed: 33063791
doi: 10.1107/S2052252520012725
pii: S2052252520012725
pmc: PMC7553147
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : NIAID NIH HHS
ID : R01 AI127521
Pays : United States
Organisme : NIGMS NIH HHS
ID : R01 GM125769
Pays : United States
Commentaires et corrections
Type : UpdateOf
Informations de copyright
© Roberto Melero et al. 2020.
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