Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features
Identifieur interne : 001793 ( Main/Exploration ); précédent : 001792; suivant : 001794Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features
Auteurs : JIAN LEI [Allemagne] ; Jeroen R. Mesters [Allemagne] ; Christian Drosten [Allemagne] ; Stefan Anemüller [Allemagne] ; QINGJUN MA [Allemagne] ; Rolf Hilgenfeld [Allemagne]Source :
- Antiviral research [ 0166-3542 ] ; 2014.
Descripteurs français
- Pascal (Inist)
- Wicri :
- topic : Médicament.
English descriptors
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Abstract
The Middle-East Respiratory Syndrome coronavirus (MERS-CoV) causes severe acute pneumonia and renal failure. The MERS-CoV papain-like protease (PLpro) is a potential target for the development of antiviral drugs. To facilitate these efforts, we determined the three-dimensional structure of the enzyme by X-ray crystallography. The molecule consists of a ubiquitin-like domain and a catalytic core domain. The catalytic domain displays an extended right-hand fold with a zinc ribbon and embraces a solvent-exposed substrate-binding region. The overall structure of the MERS-CoV PLpro is similar to that of the corresponding SARS-CoV enzyme, but the architecture of the oxyanion hole and of the S3 as well as the S5 specificity sites differ from the latter. These differences are the likely reason for reduced in vitro peptide hydrolysis and deubiquitinating activities of the MERS-CoV PLpro, compared to the homologous enzyme from the SARS coronavirus. Introduction of a side-chain capable of oxyanion stabilization through the Leu106Trp mutation greatly enhances the in vitro catalytic activity of the MERS-CoV PLpro. The unique features observed in the crystal structure of the MERS-CoV PLpro should allow the design of antivirals that would not interfere with host ubiquitin-specific proteases.
Affiliations:
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features</title><author><name sortKey="Jian Lei" sort="Jian Lei" uniqKey="Jian Lei" last="Jian Lei">JIAN LEI</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author><author><name sortKey="Mesters, Jeroen R" sort="Mesters, Jeroen R" uniqKey="Mesters J" first="Jeroen R." last="Mesters">Jeroen R. 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first="Stefan" last="Anemüller">Stefan Anemüller</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author><author><name sortKey="Qingjun Ma" sort="Qingjun Ma" uniqKey="Qingjun Ma" last="Qingjun Ma">QINGJUN MA</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</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"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">INIST</idno><idno type="inist">14-0232435</idno><date when="2014">2014</date><idno type="stanalyst">PASCAL 14-0232435 INIST</idno><idno type="RBID">Pascal:14-0232435</idno><idno type="wicri:Area/PascalFrancis/Corpus">000002</idno><idno type="wicri:Area/PascalFrancis/Curation">000985</idno><idno type="wicri:Area/PascalFrancis/Checkpoint">000012</idno><idno type="wicri:explorRef" wicri:stream="PascalFrancis" wicri:step="Checkpoint">000012</idno><idno type="wicri:doubleKey">0166-3542:2014:Jian Lei:crystal:structure:of</idno><idno type="wicri:Area/Main/Merge">001799</idno><idno type="wicri:Area/Main/Curation">001793</idno><idno type="wicri:Area/Main/Exploration">001793</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features</title><author><name sortKey="Jian Lei" sort="Jian Lei" uniqKey="Jian Lei" last="Jian Lei">JIAN LEI</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author><author><name sortKey="Mesters, Jeroen R" sort="Mesters, Jeroen R" uniqKey="Mesters J" first="Jeroen R." last="Mesters">Jeroen R. Mesters</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author><author><name sortKey="Drosten, Christian" sort="Drosten, Christian" uniqKey="Drosten C" first="Christian" last="Drosten">Christian Drosten</name><affiliation wicri:level="3"><inist:fA14 i1="02"><s1>Institute of Virology, University of Bonn Medical School</s1><s2>53127 Bonn</s2><s3>DEU</s3><sZ>3 aut.</sZ></inist:fA14><country>Allemagne</country><placeName><region type="land" nuts="1">Rhénanie-du-Nord-Westphalie</region><region type="district" nuts="2">District de Cologne</region><settlement type="city">Bonn</settlement></placeName></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author><author><name sortKey="Anemuller, Stefan" sort="Anemuller, Stefan" uniqKey="Anemuller S" first="Stefan" last="Anemüller">Stefan Anemüller</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author><author><name sortKey="Qingjun Ma" sort="Qingjun Ma" uniqKey="Qingjun Ma" last="Qingjun Ma">QINGJUN MA</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</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"><inist:fA14 i1="01"><s1>Institute of Biochemistry, Center for Structural and Cell Biology in Medicine, University of Lübeck, Ratzeburger Allee 160</s1><s2>23538 Lübeck</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>23538 Lübeck</wicri:noRegion><wicri:noRegion>Ratzeburger Allee 160</wicri:noRegion><wicri:noRegion>23538 Lübeck</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>German Center for Infection Research (DZIF)</s1><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion><wicri:noRegion>German Center for Infection Research (DZIF)</wicri:noRegion></affiliation></author></analytic><series><title level="j" type="main">Antiviral research</title><title level="j" type="abbreviated">Antivir. res.</title><idno type="ISSN">0166-3542</idno><imprint><date when="2014">2014</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Antiviral research</title><title level="j" type="abbreviated">Antivir. res.</title><idno type="ISSN">0166-3542</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Active site</term><term>Antiviral</term><term>Coronavirus</term><term>Crystalline structure</term><term>Design</term><term>Drug</term><term>Middle East respiratory syndrome</term><term>Papain</term><term>Zinc finger structure</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Structure cristalline</term><term>Papain</term><term>Coronavirus</term><term>Site actif</term><term>Structure doigt zinc</term><term>Antiviral</term><term>Médicament</term><term>Conception</term><term>Syndrome respiratoire du Moyen-Orient</term></keywords><keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Médicament</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The Middle-East Respiratory Syndrome coronavirus (MERS-CoV) causes severe acute pneumonia and renal failure. The MERS-CoV papain-like protease (PL<sup>pro</sup>) is a potential target for the development of antiviral drugs. To facilitate these efforts, we determined the three-dimensional structure of the enzyme by X-ray crystallography. The molecule consists of a ubiquitin-like domain and a catalytic core domain. The catalytic domain displays an extended right-hand fold with a zinc ribbon and embraces a solvent-exposed substrate-binding region. The overall structure of the MERS-CoV PL<sup>pro</sup> is similar to that of the corresponding SARS-CoV enzyme, but the architecture of the oxyanion hole and of the S3 as well as the S5 specificity sites differ from the latter. These differences are the likely reason for reduced in vitro peptide hydrolysis and deubiquitinating activities of the MERS-CoV PL<sup>pro</sup>, compared to the homologous enzyme from the SARS coronavirus. Introduction of a side-chain capable of oxyanion stabilization through the Leu106Trp mutation greatly enhances the in vitro catalytic activity of the MERS-CoV PL<sup>pro</sup>. The unique features observed in the crystal structure of the MERS-CoV PL<sup>pro</sup> should allow the design of antivirals that would not interfere with host ubiquitin-specific proteases.</div></front></TEI><affiliations><list><country><li>Allemagne</li></country><region><li>District de Cologne</li><li>Rhénanie-du-Nord-Westphalie</li></region><settlement><li>Bonn</li></settlement></list><tree><country name="Allemagne"><noRegion><name sortKey="Jian Lei" sort="Jian Lei" uniqKey="Jian Lei" last="Jian Lei">JIAN LEI</name></noRegion><name sortKey="Anemuller, Stefan" sort="Anemuller, Stefan" uniqKey="Anemuller S" first="Stefan" last="Anemüller">Stefan Anemüller</name><name sortKey="Anemuller, Stefan" sort="Anemuller, Stefan" uniqKey="Anemuller S" first="Stefan" last="Anemüller">Stefan Anemüller</name><name sortKey="Drosten, Christian" sort="Drosten, Christian" uniqKey="Drosten C" first="Christian" last="Drosten">Christian Drosten</name><name sortKey="Drosten, Christian" sort="Drosten, Christian" uniqKey="Drosten C" first="Christian" last="Drosten">Christian Drosten</name><name sortKey="Hilgenfeld, Rolf" sort="Hilgenfeld, Rolf" uniqKey="Hilgenfeld R" first="Rolf" last="Hilgenfeld">Rolf Hilgenfeld</name><name sortKey="Hilgenfeld, Rolf" sort="Hilgenfeld, Rolf" uniqKey="Hilgenfeld R" first="Rolf" last="Hilgenfeld">Rolf Hilgenfeld</name><name sortKey="Jian Lei" sort="Jian Lei" uniqKey="Jian Lei" last="Jian Lei">JIAN LEI</name><name sortKey="Mesters, Jeroen R" sort="Mesters, Jeroen R" uniqKey="Mesters J" first="Jeroen R." last="Mesters">Jeroen R. Mesters</name><name sortKey="Mesters, Jeroen R" sort="Mesters, Jeroen R" uniqKey="Mesters J" first="Jeroen R." last="Mesters">Jeroen R. Mesters</name><name sortKey="Qingjun Ma" sort="Qingjun Ma" uniqKey="Qingjun Ma" last="Qingjun Ma">QINGJUN MA</name><name sortKey="Qingjun Ma" sort="Qingjun Ma" uniqKey="Qingjun Ma" last="Qingjun Ma">QINGJUN MA</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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