Folding of the SARS Coronavirus Spike Glycoprotein Immunological Fragment (SARS_S1B): Thermodynamic and Kinetic Investigation Correlating with Three-Dimensional Structural Modeling†
Identifieur interne : 000045 ( Istex/Curation ); précédent : 000044; suivant : 000046Folding of the SARS Coronavirus Spike Glycoprotein Immunological Fragment (SARS_S1B): Thermodynamic and Kinetic Investigation Correlating with Three-Dimensional Structural Modeling†
Auteurs : Changying Yu [République populaire de Chine] ; Chunshan Gui [République populaire de Chine] ; Haibin Luo [République populaire de Chine] ; Lili Chen [République populaire de Chine] ; Liang Zhang [République populaire de Chine] ; Hao Yu [République populaire de Chine] ; Sheng Yang [République populaire de Chine] ; Weihong Jiang [République populaire de Chine] ; Jianhua Shen [République populaire de Chine] ; Xu Shen [République populaire de Chine] ; Hualiang Jiang [République populaire de Chine]Source :
- Biochemistry [ 0006-2960 ] ; 2005.
Abstract
Spike glycoprotein of SARS coronavirus (S protein) plays a pivotal role in SARS coronavirus (SARS_CoV) infection. The immunological fragment of the S protein (Ala251−His641, SARS_S1b) is believed to be essential for SARS_CoV entering the host cell through S protein−ACE-2 interaction. We have quantitatively characterized the thermally induced and GuHCl-induced unfolding features of SARS_S1b using circular dichroism (CD), tryptophan fluorescence, and stopped-flow spectral techniques. For the thermally induced unfolding at pH 7.4, the apparent activation energy (Eapp) and transition midpoint temperature (Tm) were determined to be 16.3 ± 0.2 kcal/mol and 52.5 ± 0.4 °C, respectively. The CD spectra are not dependent on temperature, suggesting that the secondary structure of SARS_S1b has a relatively high thermal stability. GuHCl strongly affected SARS_S1b structure. Both the CD and fluorescent spectra resulted in consistent values of the transition middle concentration of the denaturant (Cm, ranging from 2.30 to 2.45 M) and the standard free energy change (ΔG°, ranging from 2.1 to 2.5 kcal/mol) for the SARS_S1b unfolding reaction. Moreover, the kinetic features of the chemical unfolding and refolding of SARS_S1b were also characterized using a stopped-flow CD spectral technique. The obvious unfolding reaction rates and relaxation times were determined at various GuHCl concentrations, and the Cm value was obtained, which is very close to the data that resulted from CD and fluorescent spectral determinations. Secondary and three-dimensional structural predictions by homology modeling indicated that SARS_S1b folded as a globular-like structure by β-sheets and loops; two of the four tryptophans are located on the protein surface, which is in agreement with the tryptophan fluorescence result. The three-dimensional model was also used to explain the recently published experimental results of S1−ACE-2 binding and immunizations.
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DOI: 10.1021/bi0482396
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Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation><affiliation><mods:affiliation> These authors contributed equally to this work.</mods:affiliation><wicri:noCountry code="no comma"> These authors contributed equally to this work.</wicri:noCountry></affiliation></author><author><name sortKey="Luo, Haibin" sort="Luo, Haibin" uniqKey="Luo H" first="Haibin" last="Luo">Haibin Luo</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School 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Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation></author><author><name sortKey="Zhang, Liang" sort="Zhang, Liang" uniqKey="Zhang L" first="Liang" last="Zhang">Liang Zhang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation></author><author><name sortKey="Yu, Hao" sort="Yu, Hao" uniqKey="Yu H" first="Hao" last="Yu">Hao Yu</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Plant Physiology & Ecology, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academyof Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation></author><author><name sortKey="Yang, Sheng" sort="Yang, Sheng" uniqKey="Yang S" first="Sheng" last="Yang">Sheng Yang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Plant Physiology & Ecology, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academyof Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation></author><author><name sortKey="Jiang, Weihong" sort="Jiang, Weihong" uniqKey="Jiang W" first="Weihong" last="Jiang">Weihong Jiang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Plant Physiology & Ecology, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academyof Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation></author><author><name sortKey="Shen, Jianhua" sort="Shen, Jianhua" uniqKey="Shen J" first="Jianhua" last="Shen">Jianhua Shen</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation></author><author><name sortKey="Shen, Xu" sort="Shen, Xu" uniqKey="Shen X" first="Xu" last="Shen">Xu Shen</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation><affiliation><mods:affiliation> To whom correspondence should be addressed. E-mail:xshen@mail.shcnc.ac.cn (X.S.) or hljiang@mail.shcnc.ac.cn (H.J.).Telephone: 86-21-50807188. Fax: 86-21-50807088.</mods:affiliation><wicri:noCountry code="no comma"> To whom correspondence should be addressed. E-mail:xshen@mail.shcnc.ac.cn (X.S.) or hljiang@mail.shcnc.ac.cn (H.J.).Telephone: 86-21-50807188. Fax: 86-21-50807088.</wicri:noCountry></affiliation></author><author><name sortKey="Jiang, Hualiang" sort="Jiang, Hualiang" uniqKey="Jiang H" first="Hualiang" last="Jiang">Hualiang Jiang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation><wicri:noCountry code="subField">Sciences.</wicri:noCountry></affiliation><affiliation><mods:affiliation> East-China University of Science and Technology.</mods:affiliation><wicri:noCountry code="no comma"> East-China University of Science and Technology.</wicri:noCountry></affiliation><affiliation><mods:affiliation> To whom correspondence should be addressed. E-mail:xshen@mail.shcnc.ac.cn (X.S.) or hljiang@mail.shcnc.ac.cn (H.J.).Telephone: 86-21-50807188. Fax: 86-21-50807088.</mods:affiliation><wicri:noCountry code="no comma"> To whom correspondence should be addressed. E-mail:xshen@mail.shcnc.ac.cn (X.S.) or hljiang@mail.shcnc.ac.cn (H.J.).Telephone: 86-21-50807188. Fax: 86-21-50807088.</wicri:noCountry></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">ISTEX</idno><idno type="RBID">ISTEX:1B3B857EECDEE18BE6E04BE4F62B875F5C8F7052</idno><date when="2005" year="2005">2005</date><idno type="doi">10.1021/bi0482396</idno><idno type="url">https://api.istex.fr/ark:/67375/TPS-NZ5V5XNP-C/fulltext.pdf</idno><idno type="wicri:Area/Istex/Corpus">000045</idno><idno type="wicri:explorRef" wicri:stream="Istex" wicri:step="Corpus" wicri:corpus="ISTEX">000045</idno><idno type="wicri:Area/Istex/Curation">000045</idno></publicationStmt><sourceDesc><biblStruct><analytic><title level="a" type="main">Folding of the SARS Coronavirus Spike Glycoprotein Immunological Fragment
(SARS_S1B): Thermodynamic and Kinetic Investigation Correlating with
Three-Dimensional Structural Modeling<ref type="bib" target="#bi0482396AF2">†</ref></title><author><name sortKey="Yu, Changying" sort="Yu, Changying" uniqKey="Yu C" first="Changying" last="Yu">Changying Yu</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation><affiliation><mods:affiliation> These authors contributed equally to this work.</mods:affiliation></affiliation></author><author><name sortKey="Gui, Chunshan" sort="Gui, Chunshan" uniqKey="Gui C" first="Chunshan" last="Gui">Chunshan Gui</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation><affiliation><mods:affiliation> These authors contributed equally to this work.</mods:affiliation></affiliation></author><author><name sortKey="Luo, Haibin" sort="Luo, Haibin" uniqKey="Luo H" first="Haibin" last="Luo">Haibin Luo</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation></author><author><name sortKey="Chen, Lili" sort="Chen, Lili" uniqKey="Chen L" first="Lili" last="Chen">Lili Chen</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation></author><author><name sortKey="Zhang, Liang" sort="Zhang, Liang" uniqKey="Zhang L" first="Liang" last="Zhang">Liang Zhang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation></author><author><name sortKey="Yu, Hao" sort="Yu, Hao" uniqKey="Yu H" first="Hao" last="Yu">Hao Yu</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Plant Physiology & Ecology, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academyof Sciences.</mods:affiliation></affiliation></author><author><name sortKey="Yang, Sheng" sort="Yang, Sheng" uniqKey="Yang S" first="Sheng" last="Yang">Sheng Yang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Plant Physiology & Ecology, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academyof Sciences.</mods:affiliation></affiliation></author><author><name sortKey="Jiang, Weihong" sort="Jiang, Weihong" uniqKey="Jiang W" first="Weihong" last="Jiang">Weihong Jiang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Plant Physiology & Ecology, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academyof Sciences.</mods:affiliation></affiliation></author><author><name sortKey="Shen, Jianhua" sort="Shen, Jianhua" uniqKey="Shen J" first="Jianhua" last="Shen">Jianhua Shen</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation></author><author><name sortKey="Shen, Xu" sort="Shen, Xu" uniqKey="Shen X" first="Xu" last="Shen">Xu Shen</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation><affiliation><mods:affiliation> To whom correspondence should be addressed. E-mail:xshen@mail.shcnc.ac.cn (X.S.) or hljiang@mail.shcnc.ac.cn (H.J.).Telephone: 86-21-50807188. Fax: 86-21-50807088.</mods:affiliation></affiliation></author><author><name sortKey="Jiang, Hualiang" sort="Jiang, Hualiang" uniqKey="Jiang H" first="Hualiang" last="Jiang">Hualiang Jiang</name><affiliation wicri:level="1"><mods:affiliation>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237, China</mods:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, ShanghaiInstitutes for Biological Sciences, Graduate School, Chinese Academy of Sciences, Shanghai 201203, China, Shanghai Instituteof Plant Physiology and Ecology, Shanghai Institutes for Biological Sciences, Graduate School, Chinese Academy of Sciences,300 Fenglin Road, Shanghai 200032, China, and School of Pharmacy, East-China University of Science and Technology,Shanghai 200237</wicri:regionArea></affiliation><affiliation><mods:affiliation> Shanghai Institute of Materia Medica, Shanghai Institutes forBiological Sciences, Graduate School, Chinese Academy of Sciences.</mods:affiliation></affiliation><affiliation><mods:affiliation> East-China University of Science and Technology.</mods:affiliation></affiliation><affiliation><mods:affiliation> To whom correspondence should be addressed. E-mail:xshen@mail.shcnc.ac.cn (X.S.) or hljiang@mail.shcnc.ac.cn (H.J.).Telephone: 86-21-50807188. Fax: 86-21-50807088.</mods:affiliation></affiliation></author></analytic><monogr></monogr><series><title level="j" type="main">Biochemistry</title><title level="j" type="abbrev">Biochemistry</title><idno type="ISSN">0006-2960</idno><idno type="eISSN">1520-4995</idno><imprint><publisher>American Chemical Society</publisher><date type="e-published">2005</date><date type="published">2005</date><biblScope unit="vol">44</biblScope><biblScope unit="issue">5</biblScope><biblScope unit="page" from="1453">1453</biblScope><biblScope unit="page" to="1463">1463</biblScope></imprint><idno type="ISSN">0006-2960</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0006-2960</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract">Spike glycoprotein of SARS coronavirus (S protein) plays a pivotal role in SARS coronavirus (SARS_CoV) infection. The immunological fragment of the S protein (Ala251−His641, SARS_S1b) is believed to be essential for SARS_CoV entering the host cell through S protein−ACE-2 interaction. We have quantitatively characterized the thermally induced and GuHCl-induced unfolding features of SARS_S1b using circular dichroism (CD), tryptophan fluorescence, and stopped-flow spectral techniques. For the thermally induced unfolding at pH 7.4, the apparent activation energy (Eapp) and transition midpoint temperature (Tm) were determined to be 16.3 ± 0.2 kcal/mol and 52.5 ± 0.4 °C, respectively. The CD spectra are not dependent on temperature, suggesting that the secondary structure of SARS_S1b has a relatively high thermal stability. GuHCl strongly affected SARS_S1b structure. Both the CD and fluorescent spectra resulted in consistent values of the transition middle concentration of the denaturant (Cm, ranging from 2.30 to 2.45 M) and the standard free energy change (ΔG°, ranging from 2.1 to 2.5 kcal/mol) for the SARS_S1b unfolding reaction. Moreover, the kinetic features of the chemical unfolding and refolding of SARS_S1b were also characterized using a stopped-flow CD spectral technique. The obvious unfolding reaction rates and relaxation times were determined at various GuHCl concentrations, and the Cm value was obtained, which is very close to the data that resulted from CD and fluorescent spectral determinations. Secondary and three-dimensional structural predictions by homology modeling indicated that SARS_S1b folded as a globular-like structure by β-sheets and loops; two of the four tryptophans are located on the protein surface, which is in agreement with the tryptophan fluorescence result. The three-dimensional model was also used to explain the recently published experimental results of S1−ACE-2 binding and immunizations.</div></front></TEI></record>Pour manipuler ce document sous Unix (Dilib)
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