Dynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans
Abstract SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is a novel coronavirus causing the COVID-19 pandemic in 2020. High adaptive plasticity on the spike protein of SASR-CoV-2 enables it to transmit across different host species. In the present study, we collected 2092 high-quality g...
Guardado en:
| Autores principales: | , , , , , , , , , , , , , , , , , |
|---|---|
| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2021
|
| Materias: | |
| Acceso en línea: | https://doaj.org/article/ebd6f364543042e49647c7be6893075e |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| id |
oai:doaj.org-article:ebd6f364543042e49647c7be6893075e |
|---|---|
| record_format |
dspace |
| spelling |
oai:doaj.org-article:ebd6f364543042e49647c7be6893075e2021-12-02T10:44:09ZDynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans10.1038/s41598-021-82938-22045-2322https://doaj.org/article/ebd6f364543042e49647c7be6893075e2021-02-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-82938-2https://doaj.org/toc/2045-2322Abstract SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is a novel coronavirus causing the COVID-19 pandemic in 2020. High adaptive plasticity on the spike protein of SASR-CoV-2 enables it to transmit across different host species. In the present study, we collected 2092 high-quality genome sequences of SARS-CoV-2 from 160 regions in over 50 countries and reconstructed their phylogeny. We also analyzed the polymorphic interaction between spike protein and human ACE2 (hACE2). Phylogenetic analysis of SARS-CoV-2 suggests that SARS-CoV-2 is probably originated from a recombination event on the spike protein between a bat coronavirus and a pangolin coronavirus that endows it humans infectivity. Compared with other regions in the S gene of SARS-CoV-2, the direct-binding sites of the receptor-binding domain (RBD) is more conserved. We focused on 3,860 amino acid mutations in spike protein RBD (T333-C525) of SARS-CoV-2 and simulated their differential stability and binding affinity to hACE2 (S19-D615). The results indicate no preference for SARS-CoV-2 infectivity on people of different ethnic groups. The variants in the spike protein of SARS-CoV-2 may also be a good indicator demonstrating the transmission route of SARS-CoV-2 from its natural reservoir to human hosts.Xia XueJianxiang ShiHongen XuYaping QinZengguang YangShuaisheng FengDanhua LiuLiguo JianLinlin HuaYaohe WangQi ZhangXueyong HuangXiaoju ZhangXinxin LiChunguang ChenJiancheng GuoWenxue TangJianbo LiuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-12 (2021) |
| institution |
DOAJ |
| collection |
DOAJ |
| language |
EN |
| topic |
Medicine R Science Q |
| spellingShingle |
Medicine R Science Q Xia Xue Jianxiang Shi Hongen Xu Yaping Qin Zengguang Yang Shuaisheng Feng Danhua Liu Liguo Jian Linlin Hua Yaohe Wang Qi Zhang Xueyong Huang Xiaoju Zhang Xinxin Li Chunguang Chen Jiancheng Guo Wenxue Tang Jianbo Liu Dynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans |
| description |
Abstract SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is a novel coronavirus causing the COVID-19 pandemic in 2020. High adaptive plasticity on the spike protein of SASR-CoV-2 enables it to transmit across different host species. In the present study, we collected 2092 high-quality genome sequences of SARS-CoV-2 from 160 regions in over 50 countries and reconstructed their phylogeny. We also analyzed the polymorphic interaction between spike protein and human ACE2 (hACE2). Phylogenetic analysis of SARS-CoV-2 suggests that SARS-CoV-2 is probably originated from a recombination event on the spike protein between a bat coronavirus and a pangolin coronavirus that endows it humans infectivity. Compared with other regions in the S gene of SARS-CoV-2, the direct-binding sites of the receptor-binding domain (RBD) is more conserved. We focused on 3,860 amino acid mutations in spike protein RBD (T333-C525) of SARS-CoV-2 and simulated their differential stability and binding affinity to hACE2 (S19-D615). The results indicate no preference for SARS-CoV-2 infectivity on people of different ethnic groups. The variants in the spike protein of SARS-CoV-2 may also be a good indicator demonstrating the transmission route of SARS-CoV-2 from its natural reservoir to human hosts. |
| format |
article |
| author |
Xia Xue Jianxiang Shi Hongen Xu Yaping Qin Zengguang Yang Shuaisheng Feng Danhua Liu Liguo Jian Linlin Hua Yaohe Wang Qi Zhang Xueyong Huang Xiaoju Zhang Xinxin Li Chunguang Chen Jiancheng Guo Wenxue Tang Jianbo Liu |
| author_facet |
Xia Xue Jianxiang Shi Hongen Xu Yaping Qin Zengguang Yang Shuaisheng Feng Danhua Liu Liguo Jian Linlin Hua Yaohe Wang Qi Zhang Xueyong Huang Xiaoju Zhang Xinxin Li Chunguang Chen Jiancheng Guo Wenxue Tang Jianbo Liu |
| author_sort |
Xia Xue |
| title |
Dynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans |
| title_short |
Dynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans |
| title_full |
Dynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans |
| title_fullStr |
Dynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans |
| title_full_unstemmed |
Dynamics of binding ability prediction between spike protein and human ACE2 reveals the adaptive strategy of SARS-CoV-2 in humans |
| title_sort |
dynamics of binding ability prediction between spike protein and human ace2 reveals the adaptive strategy of sars-cov-2 in humans |
| publisher |
Nature Portfolio |
| publishDate |
2021 |
| url |
https://doaj.org/article/ebd6f364543042e49647c7be6893075e |
| work_keys_str_mv |
AT xiaxue dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT jianxiangshi dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT hongenxu dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT yapingqin dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT zengguangyang dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT shuaishengfeng dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT danhualiu dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT liguojian dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT linlinhua dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT yaohewang dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT qizhang dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT xueyonghuang dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT xiaojuzhang dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT xinxinli dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT chunguangchen dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT jianchengguo dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT wenxuetang dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans AT jianboliu dynamicsofbindingabilitypredictionbetweenspikeproteinandhumanace2revealstheadaptivestrategyofsarscov2inhumans |
| _version_ |
1718396860622700544 |