5h23
From Proteopedia
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==Crystal structure of Chikungunya virus capsid protein== | ==Crystal structure of Chikungunya virus capsid protein== | ||
| - | <StructureSection load='5h23' size='340' side='right' caption='[[5h23]], [[Resolution|resolution]] 2.20Å' scene=''> | + | <StructureSection load='5h23' size='340' side='right'caption='[[5h23]], [[Resolution|resolution]] 2.20Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5h23]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5H23 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5H23 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5h23]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Chikv Chikv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5H23 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5H23 FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5h23 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5h23 OCA], [http://pdbe.org/5h23 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5h23 RCSB], [http://www.ebi.ac.uk/pdbsum/5h23 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5h23 ProSAT]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5h23 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5h23 OCA], [http://pdbe.org/5h23 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5h23 RCSB], [http://www.ebi.ac.uk/pdbsum/5h23 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5h23 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The crystal structure of chikungunya (CHIKV) virus capsid protease domain has been determined at 2.2A. Structure reveals a chymotrypsin-like protease fold with a conserved hydrophobic pocket in CHIKV capsid protein (CP) for interaction with the cytoplasmic tail of E2 (cdE2) similar to the capsid protein of other alphaviruses. Molecular contacts between CP-cdE2 were determined by fitting structures of CHIKV CP and cdE2 into the cryo-EM map of Venezuelan equine encephalitis virus (VEEV). Binding of (S)-(+)-Mandelic acid (MDA) and Ethyl 3-aminobenzoate (EAB) to the hydrophobic pocket of CP was evaluated by molecular docking. Surface plasmon resonance (SPR) and fluorescence spectroscopy experiments confirmed MDA and EAB binding to the CP. The binding constants (KD) obtained from SPR for MDA and EAB were 1.2 x 10(-3) M and 0.2 x 10(-9) M, respectively. This study adds to the understanding of chikungunya virus structural proteins and may serve as the basis for antiviral development against chikungunya disease. | ||
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| + | Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket.,Sharma R, Kesari P, Kumar P, Tomar S Virology. 2018 Feb;515:223-234. doi: 10.1016/j.virol.2017.12.020. Epub 2018 Jan, 5. PMID:29306785<ref>PMID:29306785</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5h23" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Chikv]] | ||
| + | [[Category: Large Structures]] | ||
[[Category: Kesari, P]] | [[Category: Kesari, P]] | ||
[[Category: Kumar, P]] | [[Category: Kumar, P]] | ||
Revision as of 07:56, 3 April 2019
Crystal structure of Chikungunya virus capsid protein
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