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5h6v

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Revision as of 06:54, 20 May 2020

Structure of Zika virus protease in complex with a dipeptide inhibitor

Structural highlights

5h6v is a 2 chain structure with sequence from Zikv. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[H8XX12_ZIKV] Peptide 2k: Functions as a signal peptide for NS4B and is required for the interferon antagonism activity of the latter.[SAAS:SAAS00882589]

Publication Abstract from PubMed

The NS2B-NS3 viral protease is an attractive drug target against Zika virus (ZIKV) due to its importance in viral replication and maturation. Here we report the crystal structure of protease in complex with a dipeptide inhibitor, Acyl-KR-aldehyde (compound 1). The aldehyde moiety forms a covalent bond with the catalytic Ser(135) of NS3. The Arg and Lys residues in the inhibitor occupy the S1 and S2 sites of the protease, respectively. Nuclear magnetic resonance studies demonstrate that the complex is in the closed conformation in solution. The chemical environment of residues surrounding the active site is sensitive to the bound inhibitor as demonstrated by the comparison with two other non-covalent dipeptides, Acyl-K-Agmatine (compound 2) and Acyl-KR-COOH (compound 3). Removing the aldehyde moiety in 1 converts the binding mode from a slow to a fast exchange regime. The structural dynamics information obtained in this study will guide future drug discovery against ZIKV and other flaviviruses.

Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors.,Li Y, Zhang Z, Phoo WW, Loh YR, Wang W, Liu S, Chen MW, Hung AW, Keller TH, Luo D, Kang C Structure. 2017 Aug 1;25(8):1242-1250.e3. doi: 10.1016/j.str.2017.06.006. Epub, 2017 Jul 6. PMID:28689970^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Li Y, Zhang Z, Phoo WW, Loh YR, Wang W, Liu S, Chen MW, Hung AW, Keller TH, Luo D, Kang C. Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors. Structure. 2017 Aug 1;25(8):1242-1250.e3. doi: 10.1016/j.str.2017.06.006. Epub, 2017 Jul 6. PMID:28689970 doi:http://dx.doi.org/10.1016/j.str.2017.06.006

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/5h6v"

@@ Line 1: / Line 1: @@
 ==Structure of Zika virus protease in complex with a dipeptide inhibitor==
-<StructureSection load='5h6v' size='340' side='right' caption='[[5h6v]], [[Resolution|resolution]] 2.42&Aring;' scene=''>
+<StructureSection load='5h6v' size='340' side='right'caption='[[5h6v]], [[Resolution|resolution]] 2.42&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[5h6v]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Zikv Zikv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5H6V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5H6V FirstGlance]. <br>
+<table><tr><td colspan='2'>[[5h6v]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Zikv Zikv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5H6V OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5H6V FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7HS:(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide'>7HS</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7HS:(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide'>7HS</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=5h6v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5h6v OCA], [http://pdbe.org/5h6v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5h6v RCSB], [http://www.ebi.ac.uk/pdbsum/5h6v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5h6v ProSAT]</span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5h6v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5h6v OCA], [http://pdbe.org/5h6v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5h6v RCSB], [http://www.ebi.ac.uk/pdbsum/5h6v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5h6v ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 22: / Line 22: @@
 __TOC__
 </StructureSection>
+[[Category: Large Structures]]
 [[Category: Zikv]]
 [[Category: Chen, M]]

5h6v

From Proteopedia

Revision as of 06:54, 20 May 2020

Structure of Zika virus protease in complex with a dipeptide inhibitor

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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