Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A
Identifieur interne : 005224 ( Main/Exploration ); précédent : 005223; suivant : 005225Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A
Auteurs : Cheng Luo [République populaire de Chine] ; Haibin Luo [République populaire de Chine] ; Suxin Zheng [République populaire de Chine] ; Chunshan Gui [République populaire de Chine] ; Liduo Yue [République populaire de Chine] ; Changying Yu [République populaire de Chine] ; Tao Sun [République populaire de Chine] ; Peilan He [République populaire de Chine] ; Jing Chen [République populaire de Chine] ; Jianhua Shen [République populaire de Chine] ; Xiaomin Luo [République populaire de Chine] ; Yixue Li [République populaire de Chine] ; Hong Liu [République populaire de Chine] ; Donglu Bai [République populaire de Chine] ; Jingkang Shen [République populaire de Chine] ; Yiming Yang [République populaire de Chine] ; Fangqiu Li [République populaire de Chine] ; Jianping Zuo [République populaire de Chine] ; Rolf Hilgenfeld [Allemagne] ; Gang Pei [République populaire de Chine] ; Kaixian Chen [République populaire de Chine] ; Xu Shen [République populaire de Chine] ; Hualiang Jiang [République populaire de Chine]Source :
- Biochemical and Biophysical Research Communications [ 0006-291X ] ; 2004.
Descripteurs français
- KwdFr :
- Alignement de séquences, Biologie informatique, Cyclophiline A (génétique), Cyclophiline A (métabolisme), Données de séquences moléculaires, Humains, Liaison aux protéines, Modèles moléculaires, Mutagenèse dirigée, Protéines nucléocapside (génétique), Protéines nucléocapside (métabolisme), Reproductibilité des résultats, Résonance plasmonique de surface, Sites de fixation, Structure tertiaire des protéines, Syndrome respiratoire aigu sévère, Séquence d'acides aminés, Virus du SRAS (génétique), Virus du SRAS (métabolisme).
- MESH :
- génétique : Cyclophiline A, Protéines nucléocapside, Virus du SRAS.
- métabolisme : Cyclophiline A, Protéines nucléocapside, Virus du SRAS.
- Alignement de séquences, Biologie informatique, Données de séquences moléculaires, Humains, Liaison aux protéines, Modèles moléculaires, Mutagenèse dirigée, Reproductibilité des résultats, Résonance plasmonique de surface, Sites de fixation, Structure tertiaire des protéines, Syndrome respiratoire aigu sévère, Séquence d'acides aminés.
English descriptors
- KwdEn :
- Amino Acid Sequence, Binding Sites, Computational Biology, Cyclophilin A (genetics), Cyclophilin A (metabolism), Humans, Models, Molecular, Molecular Sequence Data, Mutagenesis, Site-Directed, Nucleocapsid Proteins (genetics), Nucleocapsid Proteins (metabolism), Protein Binding, Protein Structure, Tertiary, Reproducibility of Results, SARS Virus (genetics), SARS Virus (metabolism), Sequence Alignment, Severe Acute Respiratory Syndrome, Surface Plasmon Resonance.
- MESH :
- chemical , genetics : Cyclophilin A, Nucleocapsid Proteins.
- chemical , metabolism : Cyclophilin A, Nucleocapsid Proteins.
- genetics : SARS Virus.
- metabolism : SARS Virus.
- Amino Acid Sequence, Binding Sites, Computational Biology, Humans, Models, Molecular, Molecular Sequence Data, Mutagenesis, Site-Directed, Protein Binding, Protein Structure, Tertiary, Reproducibility of Results, Sequence Alignment, Severe Acute Respiratory Syndrome, Surface Plasmon Resonance.
Abstract
Severe acute respiratory syndrome coronavirus (SARS-CoV) is responsible for SARS infection. Nucleocapsid protein (NP) of SARS-CoV (SARS_NP) functions in enveloping the entire genomic RNA and interacts with viron structural proteins, thus playing important roles in the process of virus particle assembly and release. Protein–protein interaction analysis using bioinformatics tools indicated that SARS_NP may bind to human cyclophilin A (hCypA), and surface plasmon resonance (SPR) technology revealed this binding with the equilibrium dissociation constant ranging from 6 to 160 nM. The probable binding sites of these two proteins were detected by modeling the three-dimensional structure of the SARS_NP–hCypA complex, from which the important interaction residue pairs between the proteins were deduced. Mutagenesis experiments were carried out for validating the binding model, whose correctness was assessed by the observed effects on the binding affinities between the proteins. The reliability of the binding sites derived by the molecular modeling was confirmed by the fact that the computationally predicted values of the relative free energies of the binding for SARS_NP (or hCypA) mutants to the wild-type hCypA (or SARS_NP) are in good agreement with the data determined by SPR. Such presently observed SARS_NP–hCypA interaction model might provide a new hint for facilitating the understanding of another possible SARS-CoV infection pathway against human cell.
Url:
DOI: 10.1016/j.bbrc.2004.07.003
PubMed: 15358143
PubMed Central: 7092810
Affiliations:
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id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Li, Fangqiu" sort="Li, Fangqiu" uniqKey="Li F" first="Fangqiu" last="Li">Fangqiu Li</name><affiliation wicri:level="1"><nlm:aff id="aff3">Laboratory of Molecular Biology, Nanjing General Hospital, Nanjing 210002, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Laboratory of Molecular Biology, Nanjing General Hospital, Nanjing 210002</wicri:regionArea><wicri:noRegion>Nanjing 210002</wicri:noRegion></affiliation></author><author><name sortKey="Zuo, Jianping" sort="Zuo, Jianping" uniqKey="Zuo J" first="Jianping" last="Zuo">Jianping Zuo</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Hilgenfeld, Rolf" sort="Hilgenfeld, Rolf" uniqKey="Hilgenfeld R" first="Rolf" last="Hilgenfeld">Rolf Hilgenfeld</name><affiliation wicri:level="1"><nlm:aff id="aff4">Institute of Biochemistry, University of Lübeck, D-23538 Lübeck, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Institute of Biochemistry, University of Lübeck, D-23538 Lübeck</wicri:regionArea><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>D-23538 Lübeck</wicri:noRegion></affiliation></author><author><name sortKey="Pei, Gang" sort="Pei, Gang" uniqKey="Pei G" first="Gang" last="Pei">Gang Pei</name><affiliation wicri:level="1"><nlm:aff id="aff2">Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031</wicri:regionArea><wicri:noRegion>Shanghai 200031</wicri:noRegion></affiliation></author><author><name sortKey="Chen, Kaixian" sort="Chen, Kaixian" uniqKey="Chen K" first="Kaixian" last="Chen">Kaixian Chen</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Shen, Xu" sort="Shen, Xu" uniqKey="Shen X" first="Xu" last="Shen">Xu Shen</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Jiang, Hualiang" sort="Jiang, Hualiang" uniqKey="Jiang H" first="Hualiang" last="Jiang">Hualiang Jiang</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">15358143</idno><idno type="pmc">7092810</idno><idno 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Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Luo, Haibin" sort="Luo, Haibin" uniqKey="Luo H" first="Haibin" last="Luo">Haibin Luo</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Zheng, Suxin" sort="Zheng, Suxin" uniqKey="Zheng S" first="Suxin" last="Zheng">Suxin Zheng</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Gui, Chunshan" sort="Gui, Chunshan" uniqKey="Gui C" first="Chunshan" last="Gui">Chunshan Gui</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Yue, Liduo" sort="Yue, Liduo" uniqKey="Yue L" first="Liduo" last="Yue">Liduo Yue</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Yu, Changying" sort="Yu, Changying" uniqKey="Yu C" first="Changying" last="Yu">Changying Yu</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Sun, Tao" sort="Sun, Tao" uniqKey="Sun T" first="Tao" last="Sun">Tao Sun</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="He, Peilan" sort="He, Peilan" uniqKey="He P" first="Peilan" last="He">Peilan He</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Chen, Jing" sort="Chen, Jing" uniqKey="Chen J" first="Jing" last="Chen">Jing Chen</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Shen, Jianhua" sort="Shen, Jianhua" uniqKey="Shen J" first="Jianhua" last="Shen">Jianhua Shen</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Luo, Xiaomin" sort="Luo, Xiaomin" uniqKey="Luo X" first="Xiaomin" last="Luo">Xiaomin Luo</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Li, Yixue" sort="Li, Yixue" uniqKey="Li Y" first="Yixue" last="Li">Yixue Li</name><affiliation wicri:level="1"><nlm:aff id="aff2">Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031</wicri:regionArea><wicri:noRegion>Shanghai 200031</wicri:noRegion></affiliation></author><author><name sortKey="Liu, Hong" sort="Liu, Hong" uniqKey="Liu H" first="Hong" last="Liu">Hong Liu</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Bai, Donglu" sort="Bai, Donglu" uniqKey="Bai D" first="Donglu" last="Bai">Donglu Bai</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Shen, Jingkang" sort="Shen, Jingkang" uniqKey="Shen J" first="Jingkang" last="Shen">Jingkang Shen</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Yang, Yiming" sort="Yang, Yiming" uniqKey="Yang Y" first="Yiming" last="Yang">Yiming Yang</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Li, Fangqiu" sort="Li, Fangqiu" uniqKey="Li F" first="Fangqiu" last="Li">Fangqiu Li</name><affiliation wicri:level="1"><nlm:aff id="aff3">Laboratory of Molecular Biology, Nanjing General Hospital, Nanjing 210002, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Laboratory of Molecular Biology, Nanjing General Hospital, Nanjing 210002</wicri:regionArea><wicri:noRegion>Nanjing 210002</wicri:noRegion></affiliation></author><author><name sortKey="Zuo, Jianping" sort="Zuo, Jianping" uniqKey="Zuo J" first="Jianping" last="Zuo">Jianping Zuo</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Hilgenfeld, Rolf" sort="Hilgenfeld, Rolf" uniqKey="Hilgenfeld R" first="Rolf" last="Hilgenfeld">Rolf Hilgenfeld</name><affiliation wicri:level="1"><nlm:aff id="aff4">Institute of Biochemistry, University of Lübeck, D-23538 Lübeck, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Institute of Biochemistry, University of Lübeck, D-23538 Lübeck</wicri:regionArea><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>D-23538 Lübeck</wicri:noRegion></affiliation></author><author><name sortKey="Pei, Gang" sort="Pei, Gang" uniqKey="Pei G" first="Gang" last="Pei">Gang Pei</name><affiliation wicri:level="1"><nlm:aff id="aff2">Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai 200031</wicri:regionArea><wicri:noRegion>Shanghai 200031</wicri:noRegion></affiliation></author><author><name sortKey="Chen, Kaixian" sort="Chen, Kaixian" uniqKey="Chen K" first="Kaixian" last="Chen">Kaixian Chen</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Shen, Xu" sort="Shen, Xu" uniqKey="Shen X" first="Xu" last="Shen">Xu Shen</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</wicri:noRegion></affiliation></author><author><name sortKey="Jiang, Hualiang" sort="Jiang, Hualiang" uniqKey="Jiang H" first="Hualiang" last="Jiang">Hualiang Jiang</name><affiliation wicri:level="1"><nlm:aff id="aff1">Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203, China</nlm:aff><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Drug Discovery and Design Center and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Graduate School of the Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 201203</wicri:regionArea><wicri:noRegion>Shanghai 201203</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="2004">2004</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Amino Acid Sequence</term><term>Binding Sites</term><term>Computational Biology</term><term>Cyclophilin A (genetics)</term><term>Cyclophilin A (metabolism)</term><term>Humans</term><term>Models, Molecular</term><term>Molecular Sequence Data</term><term>Mutagenesis, Site-Directed</term><term>Nucleocapsid Proteins (genetics)</term><term>Nucleocapsid Proteins (metabolism)</term><term>Protein Binding</term><term>Protein Structure, Tertiary</term><term>Reproducibility of Results</term><term>SARS Virus (genetics)</term><term>SARS Virus (metabolism)</term><term>Sequence Alignment</term><term>Severe Acute Respiratory Syndrome</term><term>Surface Plasmon Resonance</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Alignement de séquences</term><term>Biologie informatique</term><term>Cyclophiline A (génétique)</term><term>Cyclophiline A (métabolisme)</term><term>Données de séquences moléculaires</term><term>Humains</term><term>Liaison aux protéines</term><term>Modèles moléculaires</term><term>Mutagenèse dirigée</term><term>Protéines nucléocapside (génétique)</term><term>Protéines nucléocapside (métabolisme)</term><term>Reproductibilité des résultats</term><term>Résonance plasmonique de surface</term><term>Sites de fixation</term><term>Structure tertiaire des protéines</term><term>Syndrome respiratoire aigu sévère</term><term>Séquence d'acides aminés</term><term>Virus du SRAS (génétique)</term><term>Virus du SRAS (métabolisme)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="genetics" xml:lang="en"><term>Cyclophilin A</term><term>Nucleocapsid Proteins</term></keywords><keywords scheme="MESH" type="chemical" qualifier="metabolism" xml:lang="en"><term>Cyclophilin A</term><term>Nucleocapsid Proteins</term></keywords><keywords scheme="MESH" qualifier="genetics" xml:lang="en"><term>SARS Virus</term></keywords><keywords scheme="MESH" qualifier="génétique" xml:lang="fr"><term>Cyclophiline A</term><term>Protéines nucléocapside</term><term>Virus du SRAS</term></keywords><keywords scheme="MESH" qualifier="metabolism" xml:lang="en"><term>SARS Virus</term></keywords><keywords scheme="MESH" qualifier="métabolisme" xml:lang="fr"><term>Cyclophiline A</term><term>Protéines nucléocapside</term><term>Virus du SRAS</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Amino Acid Sequence</term><term>Binding Sites</term><term>Computational Biology</term><term>Humans</term><term>Models, Molecular</term><term>Molecular Sequence Data</term><term>Mutagenesis, Site-Directed</term><term>Protein Binding</term><term>Protein Structure, Tertiary</term><term>Reproducibility of Results</term><term>Sequence Alignment</term><term>Severe Acute Respiratory Syndrome</term><term>Surface Plasmon Resonance</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Alignement de séquences</term><term>Biologie informatique</term><term>Données de séquences moléculaires</term><term>Humains</term><term>Liaison aux protéines</term><term>Modèles moléculaires</term><term>Mutagenèse dirigée</term><term>Reproductibilité des résultats</term><term>Résonance plasmonique de surface</term><term>Sites de fixation</term><term>Structure tertiaire des protéines</term><term>Syndrome respiratoire aigu sévère</term><term>Séquence d'acides aminés</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>Severe acute respiratory syndrome coronavirus (SARS-CoV) is responsible for SARS infection. Nucleocapsid protein (NP) of SARS-CoV (SARS_NP) functions in enveloping the entire genomic RNA and interacts with viron structural proteins, thus playing important roles in the process of virus particle assembly and release. Protein–protein interaction analysis using bioinformatics tools indicated that SARS_NP may bind to human cyclophilin A (hCypA), and surface plasmon resonance (SPR) technology revealed this binding with the equilibrium dissociation constant ranging from 6 to 160 nM. The probable binding sites of these two proteins were detected by modeling the three-dimensional structure of the SARS_NP–hCypA complex, from which the important interaction residue pairs between the proteins were deduced. Mutagenesis experiments were carried out for validating the binding model, whose correctness was assessed by the observed effects on the binding affinities between the proteins. The reliability of the binding sites derived by the molecular modeling was confirmed by the fact that the computationally predicted values of the relative free energies of the binding for SARS_NP (or hCypA) mutants to the wild-type hCypA (or SARS_NP) are in good agreement with the data determined by SPR. Such presently observed SARS_NP–hCypA interaction model might provide a new hint for facilitating the understanding of another possible SARS-CoV infection pathway against human cell.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Poutanen, S M" uniqKey="Poutanen S">S.M. Poutanen</name></author><author><name sortKey="Low, D E" uniqKey="Low D">D.E. Low</name></author><author><name sortKey="Henry, B" uniqKey="Henry B">B. Henry</name></author><author><name sortKey="Finkelstein, S" uniqKey="Finkelstein S">S. Finkelstein</name></author><author><name sortKey="Rose, D" uniqKey="Rose D">D. 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