Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor.
Jun Lan,Jiwan Ge,Jinfang Yu,Sisi Shan,Huan Zhou,Shilong Fan,Qi Zhang,Xuanling Shi,Qisheng Wang,Linqi Zhang,Xinquan Wang +10 more
TLDR
High-resolution crystal structures of the receptor-binding domain of the spike protein of SARS-CoV-2 and SARS -CoV in complex with ACE2 provide insights into the binding mode of these coronaviruses and highlight essential ACE2-interacting residues.Abstract:
A new and highly pathogenic coronavirus (severe acute respiratory syndrome coronavirus-2, SARS-CoV-2) caused an outbreak in Wuhan city, Hubei province, China, starting from December 2019 that quickly spread nationwide and to other countries around the world1–3. Here, to better understand the initial step of infection at an atomic level, we determined the crystal structure of the receptor-binding domain (RBD) of the spike protein of SARS-CoV-2 bound to the cell receptor ACE2. The overall ACE2-binding mode of the SARS-CoV-2 RBD is nearly identical to that of the SARS-CoV RBD, which also uses ACE2 as the cell receptor4. Structural analysis identified residues in the SARS-CoV-2 RBD that are essential for ACE2 binding, the majority of which either are highly conserved or share similar side chain properties with those in the SARS-CoV RBD. Such similarity in structure and sequence strongly indicate convergent evolution between the SARS-CoV-2 and SARS-CoV RBDs for improved binding to ACE2, although SARS-CoV-2 does not cluster within SARS and SARS-related coronaviruses1–3,5. The epitopes of two SARS-CoV antibodies that target the RBD are also analysed for binding to the SARS-CoV-2 RBD, providing insights into the future identification of cross-reactive antibodies. High-resolution crystal structures of the receptor-binding domain of the spike protein of SARS-CoV-2 and SARS-CoV in complex with ACE2 provide insights into the binding mode of these coronaviruses and highlight essential ACE2-interacting residues.read more
Citations
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An electrochemical SARS-CoV-2 biosensor inspired by glucose test strip manufacturing processes.
Vincent Vezza,Adrian Butterworth,Perrine Lasserre,Ewen O. Blair,Alexander MacDonald,Stuart Hannah,Christopher Rinaldi,Paul A. Hoskisson,Andrew C. Ward,Alistair Longmuir,Steven Setford,Eoghan C. W. Farmer,Michael E. Murphy,Damion K. Corrigan +13 more
TL;DR: In this paper, the ACE2 enzyme was used as the recognition element to achieve clinically relevant detection of SARS-CoV-2 using early, but promising measurements of the enzyme.
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Accurate Evaluation on the Interactions of SARS-CoV-2 with Its Receptor ACE2 and Antibodies CR3022/CB6*
TL;DR: In this article, the authors proposed a new method based on molecular mechanics/Poisson Boltzmann surface area (MM/PBSA) to accurately calculate the free energy of SARS-CoV-2 RBD binding to ACE2 and antibodies.
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How SARS-CoV-2 (COVID-19) spreads within infected hosts - what we know so far.
TL;DR: An overview of how SARS-CoV-2 infects and spreads within human hosts with specific emphasis on key aspects of its lifecycle, tropism and immunopathological features is provided.
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The SARS-CoV-2 host cell receptor ACE2 correlates positively with immunotherapy response and is a potential protective factor for cancer progression
TL;DR: This article found that ACE2 upregulation was associated with increased antitumor immune signatures and PD-L 1 expression, and favorable anti-PD-1/PD-L1/CTLA-4 immunotherapy response.
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Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants
Clauber Henrique Souza da Costa,Camila Auad Beltrão de Freitas,Cláudio Nahum Alves,Jerônimo Lameira +3 more
TL;DR: In this paper , the authors used accelerated molecular dynamics simulations and free energy calculations to evaluate the impact of mutations on the Spike (S) protein receptor-binding domain (RBD) and other variants in the binding with the human angiotensin converting enzyme 2 (ACE2) receptor.
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