Structure analysis of the receptor binding of 2019-nCoV
Identifieur interne : 000200 ( 2020/Analysis ); précédent : 000199; suivant : 000201Structure analysis of the receptor binding of 2019-nCoV
Auteurs : Yun Chen [République populaire de Chine] ; Yao Guo [République populaire de Chine] ; Yihang Pan [République populaire de Chine] ; Zhizhuang Joe Zhao [République populaire de Chine, États-Unis]Source :
- Biochemical and Biophysical Research Communications [ 0006-291X ] ; 2020.
Abstract
2019-nCoV is a newly identified coronavirus with high similarity to SARS-CoV. We performed a structural analysis of the receptor binding domain (RBD) of spike glycoprotein responsible for entry of coronaviruses into host cells. The RBDs from the two viruses share 72% identity in amino acid sequences, and molecular simulation reveals highly similar ternary structures. However, 2019-nCoV has a distinct loop with flexible glycyl residues replacing rigid prolyl residues in SARS-CoV. Molecular modeling revealed that 2019-nCoV RBD has a stronger interaction with angiotensin converting enzyme 2 (ACE2). A unique phenylalanine F486 in the flexible loop likely plays a major role because its penetration into a deep hydrophobic pocket in ACE2. ACE2 is widely expressed with conserved primary structures throughout the animal kingdom from fish, amphibians, reptiles, birds, to mammals. Structural analysis suggests that ACE2 from these animals can potentially bind RBD of 2019-nCoV, making them all possible natural hosts for the virus. 2019-nCoV is thought to be transmitted through respiratory droplets. However, since ACE2 is predominantly expressed in intestines, testis, and kidney, fecal-oral and other routes of transmission are also possible. Finally, antibodies and small molecular inhibitors that can block the interaction of ACE2 with RBD should be developed to combat the virus.
Url:
DOI: 10.1016/j.bbrc.2020.02.071
PubMed: 32081428
PubMed Central: 7092824
Affiliations:
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Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Edmond H. Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong</wicri:regionArea><wicri:noRegion>Guangdong</wicri:noRegion></affiliation></author><author><name sortKey="Guo, Yao" sort="Guo, Yao" uniqKey="Guo Y" first="Yao" last="Guo">Yao Guo</name><affiliation wicri:level="1"><nlm:aff id="aff1">Edmond H. Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Edmond H. Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong</wicri:regionArea><wicri:noRegion>Guangdong</wicri:noRegion></affiliation></author><author><name sortKey="Pan, Yihang" sort="Pan, Yihang" uniqKey="Pan Y" first="Yihang" last="Pan">Yihang Pan</name><affiliation wicri:level="1"><nlm:aff id="aff1">Edmond H. Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Edmond H. Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong</wicri:regionArea><wicri:noRegion>Guangdong</wicri:noRegion></affiliation></author><author><name sortKey="Zhao, Zhizhuang Joe" sort="Zhao, Zhizhuang Joe" uniqKey="Zhao Z" first="Zhizhuang Joe" last="Zhao">Zhizhuang Joe Zhao</name><affiliation wicri:level="1"><nlm:aff id="aff1">Edmond H. Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Edmond H. Fischer Translational Medical Research Laboratory, Precision Medicine Center, The Seventh Affiliated Hospital, Sun Yat-sen University, Shenzhen, 518107, Guangdong</wicri:regionArea><wicri:noRegion>Guangdong</wicri:noRegion></affiliation><affiliation wicri:level="1"><nlm:aff id="aff2">Department of Pathology, University of Oklahoma Health Sciences Center, 940 Stanton L. Young Blvd, Oklahoma City, OK, 73104, USA</nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea>Department of Pathology, University of Oklahoma Health Sciences Center, 940 Stanton L. Young Blvd, Oklahoma City, OK, 73104</wicri:regionArea><wicri:noRegion>73104</wicri:noRegion></affiliation></author></analytic><series><title level="j">Biochemical and Biophysical Research Communications</title><idno type="ISSN">0006-291X</idno><idno type="eISSN">1090-2104</idno><imprint><date when="2020">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>2019-nCoV is a newly identified coronavirus with high similarity to SARS-CoV. We performed a structural analysis of the receptor binding domain (RBD) of spike glycoprotein responsible for entry of coronaviruses into host cells. The RBDs from the two viruses share 72% identity in amino acid sequences, and molecular simulation reveals highly similar ternary structures. However, 2019-nCoV has a distinct loop with flexible glycyl residues replacing rigid prolyl residues in SARS-CoV. Molecular modeling revealed that 2019-nCoV RBD has a stronger interaction with angiotensin converting enzyme 2 (ACE2). A unique phenylalanine F486 in the flexible loop likely plays a major role because its penetration into a deep hydrophobic pocket in ACE2. ACE2 is widely expressed with conserved primary structures throughout the animal kingdom from fish, amphibians, reptiles, birds, to mammals. Structural analysis suggests that ACE2 from these animals can potentially bind RBD of 2019-nCoV, making them all possible natural hosts for the virus. 2019-nCoV is thought to be transmitted through respiratory droplets. However, since ACE2 is predominantly expressed in intestines, testis, and kidney, fecal-oral and other routes of transmission are also possible. Finally, antibodies and small molecular inhibitors that can block the interaction of ACE2 with RBD should be developed to combat the virus.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Wang, C" uniqKey="Wang C">C. Wang</name></author><author><name sortKey="Horby, P W" uniqKey="Horby P">P.W. Horby</name></author><author><name sortKey="Hayden, F G" uniqKey="Hayden F">F.G. Hayden</name></author><author><name sortKey="Gao, G F" uniqKey="Gao G">G.F. Gao</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Fehr, A R" uniqKey="Fehr A">A.R. Fehr</name></author><author><name sortKey="Perlman, S" uniqKey="Perlman S">S. Perlman</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Li, F" uniqKey="Li F">F. Li</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Li, W" uniqKey="Li W">W. 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Pyrc</name></author><author><name sortKey="Jebbink, M F" uniqKey="Jebbink M">M.F. Jebbink</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Wu, K" uniqKey="Wu K">K. Wu</name></author><author><name sortKey="Li, W" uniqKey="Li W">W. Li</name></author><author><name sortKey="Peng, G" uniqKey="Peng G">G. Peng</name></author><author><name sortKey="Li, F" uniqKey="Li F">F. Li</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Fielding, B C" uniqKey="Fielding B">B.C. Fielding</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Huentelman, M J" uniqKey="Huentelman M">M.J. Huentelman</name></author><author><name sortKey="Zubcevic, J" uniqKey="Zubcevic J">J. Zubcevic</name></author><author><name sortKey="Hernandez Prada Ja, J A" uniqKey="Hernandez Prada Ja J">J.A. Hernández Prada Ja</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Culver, S" uniqKey="Culver S">S. 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Acharya</name></author></analytic></biblStruct></listBibl></div1></back></TEI><affiliations><list><country><li>République populaire de Chine</li><li>États-Unis</li></country></list><tree><country name="République populaire de Chine"><noRegion><name sortKey="Chen, Yun" sort="Chen, Yun" uniqKey="Chen Y" first="Yun" last="Chen">Yun Chen</name></noRegion><name sortKey="Guo, Yao" sort="Guo, Yao" uniqKey="Guo Y" first="Yao" last="Guo">Yao Guo</name><name sortKey="Pan, Yihang" sort="Pan, Yihang" uniqKey="Pan Y" first="Yihang" last="Pan">Yihang Pan</name><name sortKey="Zhao, Zhizhuang Joe" sort="Zhao, Zhizhuang Joe" uniqKey="Zhao Z" first="Zhizhuang Joe" last="Zhao">Zhizhuang Joe Zhao</name></country><country name="États-Unis"><noRegion><name sortKey="Zhao, Zhizhuang Joe" sort="Zhao, Zhizhuang Joe" uniqKey="Zhao Z" first="Zhizhuang Joe" last="Zhao">Zhizhuang Joe Zhao</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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