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SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response

Luís Queirós-Reis, Priscilla Gomes da Silva, José Gonçalves, Andrea Brancale, Marcella Bassetto, João R. Mesquita

International Journal of Molecular Sciences, Volume: 22, Issue: 19, Start page: 10836

Swansea University Author: Marcella Bassetto

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DOI (Published version): 10.3390/ijms221910836

Abstract

Coronavirus disease 19, or COVID-19, is an infection associated with an unprecedented worldwide pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), which has led to more than 215 million infected people and more than 4.5 million deaths worldwide. SARS-CoV-2 cell infe...

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Published in: International Journal of Molecular Sciences
ISSN: 1422-0067
Published: MDPI AG 2021
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URI: https://cronfa.swan.ac.uk/Record/cronfa58363
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first_indexed 2021-10-18T07:44:09Z
last_indexed 2021-11-10T04:25:42Z
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spelling 2021-11-09T11:00:07.0209587 v2 58363 2021-10-18 SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response b97beeed16f8e0524551233ade909565 Marcella Bassetto Marcella Bassetto true false 2021-10-18 FGSEN Coronavirus disease 19, or COVID-19, is an infection associated with an unprecedented worldwide pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), which has led to more than 215 million infected people and more than 4.5 million deaths worldwide. SARS-CoV-2 cell infection is initiated by a densely glycosylated spike (S) protein, a fusion protein, binding human angiotensin converting enzyme 2 (hACE2), that acts as the functional receptor through the receptor binding domain (RBD). In this article, the interaction of hACE2 with the RBD and how fusion is initiated after recognition are explored, as well as how mutations influence infectivity and immune response. Thus, we focused on all structures available in the Protein Data Bank for the interaction between SARS-CoV-2 S protein and hACE2. Specifically, the Delta variant carries particular mutations associated with increased viral fitness through decreased antibody binding, increased RBD affinity and altered protein dynamics. Combining both existing mutations and mutagenesis studies, new potential SARS-CoV-2 variants, harboring advantageous S protein mutations, may be predicted. These include mutations S13I and W152C, decreasing antibody binding, N460K, increasing RDB affinity, or Q498R, positively affecting both properties. Journal Article International Journal of Molecular Sciences 22 19 10836 MDPI AG 1422-0067 SARS-CoV-2; Spike protein; hACE2; protein structures 7 10 2021 2021-10-07 10.3390/ijms221910836 COLLEGE NANME Science and Engineering - Faculty COLLEGE CODE FGSEN Swansea University No funding 2021-11-09T11:00:07.0209587 2021-10-18T08:42:35.9633612 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Luís Queirós-Reis 1 Priscilla Gomes da Silva 2 José Gonçalves 3 Andrea Brancale 4 Marcella Bassetto 5 João R. Mesquita 6 58363__21186__67684ab8e0aa46d4987e82822b20f08a.pdf 58363.pdf 2021-10-18T08:43:51.9974521 Output 5491368 application/pdf Version of Record true © 2021 by the authors. This is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license true eng https://creativecommons.org/licenses/by/4.0/
title SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response
spellingShingle SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response
Marcella Bassetto
title_short SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response
title_full SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response
title_fullStr SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response
title_full_unstemmed SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response
title_sort SARS-CoV-2 Virus−Host Interaction: Currently Available Structures and Implications of Variant Emergence on Infectivity and Immune Response
author_id_str_mv b97beeed16f8e0524551233ade909565
author_id_fullname_str_mv b97beeed16f8e0524551233ade909565_***_Marcella Bassetto
author Marcella Bassetto
author2 Luís Queirós-Reis
Priscilla Gomes da Silva
José Gonçalves
Andrea Brancale
Marcella Bassetto
João R. Mesquita
format Journal article
container_title International Journal of Molecular Sciences
container_volume 22
container_issue 19
container_start_page 10836
publishDate 2021
institution Swansea University
issn 1422-0067
doi_str_mv 10.3390/ijms221910836
publisher MDPI AG
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemistry{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemistry
document_store_str 1
active_str 0
description Coronavirus disease 19, or COVID-19, is an infection associated with an unprecedented worldwide pandemic caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), which has led to more than 215 million infected people and more than 4.5 million deaths worldwide. SARS-CoV-2 cell infection is initiated by a densely glycosylated spike (S) protein, a fusion protein, binding human angiotensin converting enzyme 2 (hACE2), that acts as the functional receptor through the receptor binding domain (RBD). In this article, the interaction of hACE2 with the RBD and how fusion is initiated after recognition are explored, as well as how mutations influence infectivity and immune response. Thus, we focused on all structures available in the Protein Data Bank for the interaction between SARS-CoV-2 S protein and hACE2. Specifically, the Delta variant carries particular mutations associated with increased viral fitness through decreased antibody binding, increased RBD affinity and altered protein dynamics. Combining both existing mutations and mutagenesis studies, new potential SARS-CoV-2 variants, harboring advantageous S protein mutations, may be predicted. These include mutations S13I and W152C, decreasing antibody binding, N460K, increasing RDB affinity, or Q498R, positively affecting both properties.
published_date 2021-10-07T04:14:50Z
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score 11.016593

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