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2ijo

From Proteopedia

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[[Image:2ijo.gif|left|200px]]
 
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==Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor==
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The line below this paragraph, containing "STRUCTURE_2ijo", creates the "Structure Box" on the page.
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<StructureSection load='2ijo' size='340' side='right'caption='[[2ijo]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2ijo]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [https://en.wikipedia.org/wiki/West_Nile_virus West Nile virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IJO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IJO FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ijo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ijo OCA], [https://pdbe.org/2ijo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ijo RCSB], [https://www.ebi.ac.uk/pdbsum/2ijo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ijo ProSAT]</span></td></tr>
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{{STRUCTURE_2ijo| PDB=2ijo | SCENE= }}
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BPT1_BOVIN BPT1_BOVIN] Inhibits trypsin, kallikrein, chymotrypsin, and plasmin.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ij/2ijo_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2ijo ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Pathogenic members of the flavivirus family, including West Nile Virus (WNV) and Dengue Virus (DV), are growing global threats for which there are no specific treatments. The two-component flaviviral enzyme NS2B-NS3 cleaves the viral polyprotein precursor within the host cell, a process that is required for viral replication. Here, we report the crystal structure of WNV NS2B-NS3pro both in a substrate-free form and in complex with the trypsin inhibitor aprotinin/BPTI. We show that aprotinin binds in a substrate-mimetic fashion in which the productive conformation of the protease is fully formed, providing evidence for an "induced fit" mechanism of catalysis and allowing us to rationalize the distinct substrate specificities of WNV and DV proteases. We also show that the NS2B cofactor of WNV can adopt two very distinct conformations and that this is likely to be a general feature of flaviviral proteases, providing further opportunities for regulation. Finally, by comparing the flaviviral proteases with the more distantly related Hepatitis C virus, we provide insights into the evolution of the Flaviviridae fold. Our work should expedite the design of protease inhibitors to treat a range of flaviviral infections.
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'''Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor'''
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Structural evidence for regulation and specificity of flaviviral proteases and evolution of the Flaviviridae fold.,Aleshin AE, Shiryaev SA, Strongin AY, Liddington RC Protein Sci. 2007 May;16(5):795-806. Epub 2007 Mar 30. PMID:17400917<ref>PMID:17400917</ref>
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==Overview==
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Pathogenic members of the flavivirus family, including West Nile Virus (WNV) and Dengue Virus (DV), are growing global threats for which there are no specific treatments. The two-component flaviviral enzyme NS2B-NS3 cleaves the viral polyprotein precursor within the host cell, a process that is required for viral replication. Here, we report the crystal structure of WNV NS2B-NS3pro both in a substrate-free form and in complex with the trypsin inhibitor aprotinin/BPTI. We show that aprotinin binds in a substrate-mimetic fashion in which the productive conformation of the protease is fully formed, providing evidence for an "induced fit" mechanism of catalysis and allowing us to rationalize the distinct substrate specificities of WNV and DV proteases. We also show that the NS2B cofactor of WNV can adopt two very distinct conformations and that this is likely to be a general feature of flaviviral proteases, providing further opportunities for regulation. Finally, by comparing the flaviviral proteases with the more distantly related Hepatitis C virus, we provide insights into the evolution of the Flaviviridae fold. Our work should expedite the design of protease inhibitors to treat a range of flaviviral infections.
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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2IJO is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [http://en.wikipedia.org/wiki/West_nile_virus West nile virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IJO OCA].
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</div>
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<div class="pdbe-citations 2ijo" style="background-color:#fffaf0;"></div>
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==Reference==
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==See Also==
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Structural evidence for regulation and specificity of flaviviral proteases and evolution of the Flaviviridae fold., Aleshin AE, Shiryaev SA, Strongin AY, Liddington RC, Protein Sci. 2007 May;16(5):795-806. Epub 2007 Mar 30. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17400917 17400917]
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*[[BPTI 3D structures|BPTI 3D structures]]
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Flavivirin]]
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[[Category: Large Structures]]
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[[Category: Protein complex]]
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[[Category: West Nile virus]]
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[[Category: West nile virus]]
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[[Category: Aleshin AE]]
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[[Category: Aleshin, A E.]]
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[[Category: Liddington RC]]
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[[Category: Liddington, R C.]]
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[[Category: Shiryaev SA]]
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[[Category: Shiryaev, S A.]]
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[[Category: Strongin AY]]
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[[Category: Strongin, A Y.]]
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[[Category: Aprotinin]]
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[[Category: Bpti]]
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[[Category: Flavivirus]]
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[[Category: Ns2b]]
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[[Category: Ns3]]
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[[Category: Protease]]
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[[Category: Serine protease]]
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[[Category: West nile virus]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 07:34:55 2008''
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Current revision

Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor

PDB ID 2ijo

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