Structural Dissection of Viral Spike-Protein Binding of SARS-CoV-2 and SARS-CoV-1 to the Human Angiotensin-Converting Enzyme 2 (ACE2) as Cellular Receptor
Abstract
:1. Introduction
2. Materials and Methods
3. Results and Discussion
3.1. Comparison of the S-Protein Sequences and Amino Acids from SARS-CoV-1 and SARS-CoV-2 at Sp-ACE2 Complex Interfaces
3.2. Different Regions of ACE2 Are Involved in the Interaction with Sp of SARS-CoV-1 and SARS-CoV-2
3.3. Predictions on Impact of Coronavirus Variants at the Sp-ACE2 Binding Interface
3.4. Molecular Aspects of the Peculiar Interactions at the Sp-ACE2 Binding Interface
3.5. Comparison with Mutagenesis Studies on Sp and ACE2 from the Previous SARS Outbreaks
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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SARS-CoV-2 Sp | SARS-CoV-1 Sp |
---|---|
(a) 8 amino acids are identical at the corresponding positions | |
Y449 | Y436 |
Y453 | Y440 |
N487 | N473 |
Y489 | Y475 |
G496 | G482 |
T500 | T486 |
G502 | G488 |
Y505 | Y491 |
(b) 11 amino acids are different at the corresponding positions | |
V445 | S432 |
L455 | Y442 |
F456 | L443 |
Y473 | F460 |
A475 | P462 |
G476 | D463 |
F486 | L472 |
Q493 | N479 |
Q498 | Y484 |
N501 | T487 |
V503 | I489 |
(c) 4 amino acids for each Sp have no correspondent interactions | |
K417 | - |
- | R426 |
G446 | - |
G485 | - |
F490 | - |
- | Y481 * |
- | T485 |
- | Q492 |
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Giordano, D.; De Masi, L.; Argenio, M.A.; Facchiano, A. Structural Dissection of Viral Spike-Protein Binding of SARS-CoV-2 and SARS-CoV-1 to the Human Angiotensin-Converting Enzyme 2 (ACE2) as Cellular Receptor. Biomedicines 2021, 9, 1038. https://doi.org/10.3390/biomedicines9081038
Giordano D, De Masi L, Argenio MA, Facchiano A. Structural Dissection of Viral Spike-Protein Binding of SARS-CoV-2 and SARS-CoV-1 to the Human Angiotensin-Converting Enzyme 2 (ACE2) as Cellular Receptor. Biomedicines. 2021; 9(8):1038. https://doi.org/10.3390/biomedicines9081038
Chicago/Turabian StyleGiordano, Deborah, Luigi De Masi, Maria Antonia Argenio, and Angelo Facchiano. 2021. "Structural Dissection of Viral Spike-Protein Binding of SARS-CoV-2 and SARS-CoV-1 to the Human Angiotensin-Converting Enzyme 2 (ACE2) as Cellular Receptor" Biomedicines 9, no. 8: 1038. https://doi.org/10.3390/biomedicines9081038