5lc0
From Proteopedia
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==Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor== | ==Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor== | ||
| - | <StructureSection load='5lc0' size='340' side='right' caption='[[5lc0]], [[Resolution|resolution]] 2.70Å' scene=''> | + | <StructureSection load='5lc0' size='340' side='right'caption='[[5lc0]], [[Resolution|resolution]] 2.70Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5lc0]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LC0 OCA]. For a <b>guided tour on the structure components</b> use [ | + | <table><tr><td colspan='2'>[[5lc0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Zika_virus Zika virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LC0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LC0 FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6T8:N-((S)-3-(4-(AMINOMETHYL)PHENYL)-1-(((R)-4-GUANIDINO-1-(5-HYDROXY-1,3,2-DIOXABORINAN-2-YL)BUTYL)AMINO)-1-OXOPROPAN-2-YL)BENZAMIDE'>6T8</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.7Å</td></tr> |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6T8:N-((S)-3-(4-(AMINOMETHYL)PHENYL)-1-(((R)-4-GUANIDINO-1-(5-HYDROXY-1,3,2-DIOXABORINAN-2-YL)BUTYL)AMINO)-1-OXOPROPAN-2-YL)BENZAMIDE'>6T8</scene></td></tr> |
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5lc0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lc0 OCA], [https://pdbe.org/5lc0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lc0 RCSB], [https://www.ebi.ac.uk/pdbsum/5lc0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lc0 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/A0A140DLX4_ZIKV A0A140DLX4_ZIKV] Functions as a signal peptide for NS4B and is required for the interferon antagonism activity of the latter.[ARBA:ARBA00003504] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The ongoing Zika virus (ZIKV) outbreak is linked to severe neurological disorders. ZIKV relies on its NS2B/NS3 protease for polyprotein processing; hence, this enzyme is an attractive drug target. The 2.7 A crystal structure of ZIKV protease in complex with a peptidomimetic boronic-acid inhibitor reveals a cyclic diester between the boronic acid and glycerol. The P2 4-aminomethylphenylalanine moiety of the inhibitor forms a salt-bridge with the non-conserved Asp83 of NS2B, Ion-pairing between Asp83 and the P2 residue of the substrate likely accounts for the enzyme's high catalytic efficiency. The unusual dimer of the ZIKV protease:inhibitor complex seen in the crystal may provide a model for assemblies formed at high local concentrations of protease at the endoplasmatic reticulum membrane, the site of polyprotein processing. | ||
| + | |||
| + | Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor.,Lei J, Hansen G, Nitsche C, Klein CD, Zhang L, Hilgenfeld R Science. 2016 Jul 7. pii: aag2419. PMID:27386922<ref>PMID:27386922</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5lc0" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Virus protease 3D structures|Virus protease 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: | + | [[Category: Zika virus]] |
| - | [[Category: | + | [[Category: Hansen G]] |
| - | [[Category: | + | [[Category: Hilgenfeld R]] |
| - | [[Category: | + | [[Category: Lei J]] |
| - | [[Category: | + | [[Category: Zhang LL]] |
| - | + | ||
| - | + | ||
| - | + | ||
Current revision
Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor
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