2p59

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (09:25, 6 November 2024) (edit) (undo)
 
(13 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:2p59.jpg|left|200px]]<br /><applet load="2p59" size="350" color="white" frame="true" align="right" spinBox="true"
 
-
caption="2p59, resolution 2.900&Aring;" />
 
-
'''Crystal Structure of Hepatitis C Virus NS3.4A protease'''<br />
 
-
==Overview==
+
==Crystal Structure of Hepatitis C Virus NS3.4A protease==
-
Reversible tetrapeptide-based compounds have been shown to effectively, inhibit the hepatitis C virus NS3.4A protease. Inhibition of viral, replicon RNA production in Huh-7 cells has also been demonstrated. We show, herein that the inclusion of hydrogen bond donors on the P4 capping group, of tetrapeptide-based inhibitors result in increased binding potency to, the NS3.4A protease. The capping groups also impart significant effects on, the pharmacokinetic profile of these inhibitors.
+
<StructureSection load='2p59' size='340' side='right'caption='[[2p59]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[2p59]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_hominis Hepacivirus hominis] and [https://en.wikipedia.org/wiki/Hepatitis_C_virus_(isolate_H) Hepatitis C virus (isolate H)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2P59 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2P59 FirstGlance]. <br>
 +
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.9&#8491;</td></tr>
 +
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GG4:(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-2-cyclohexyl-2-({[(2R)-4-nitro-2H-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1H-indole-2-carboxamide+(non-preferred+name)'>GG4</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=2p59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2p59 OCA], [https://pdbe.org/2p59 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2p59 RCSB], [https://www.ebi.ac.uk/pdbsum/2p59 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2p59 ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/Q91RS4_9HEPC Q91RS4_9HEPC]
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Reversible tetrapeptide-based compounds have been shown to effectively inhibit the hepatitis C virus NS3.4A protease. Inhibition of viral replicon RNA production in Huh-7 cells has also been demonstrated. We show herein that the inclusion of hydrogen bond donors on the P4 capping group of tetrapeptide-based inhibitors result in increased binding potency to the NS3.4A protease. The capping groups also impart significant effects on the pharmacokinetic profile of these inhibitors.
-
==About this Structure==
+
Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.,Perni RB, Chandorkar G, Cottrell KM, Gates CA, Lin C, Lin K, Luong YP, Maxwell JP, Murcko MA, Pitlik J, Rao G, Schairer WC, Van Drie J, Wei Y Bioorg Med Chem Lett. 2007 Jun 15;17(12):3406-11. Epub 2007 Apr 3. PMID:17482818<ref>PMID:17482818</ref>
-
2P59 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Gb_virus_c Gb virus c] with <scene name='pdbligand=GG4:'>GG4</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Site: <scene name='pdbsite=AC1:Gg4+Binding+Site+For+Residue+B+1208'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2P59 OCA].
+
-
==Reference==
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics., Perni RB, Chandorkar G, Cottrell KM, Gates CA, Lin C, Lin K, Luong YP, Maxwell JP, Murcko MA, Pitlik J, Rao G, Schairer WC, Van Drie J, Wei Y, Bioorg Med Chem Lett. 2007 Jun 15;17(12):3406-11. Epub 2007 Apr 3. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17482818 17482818]
+
</div>
-
[[Category: Gb virus c]]
+
<div class="pdbe-citations 2p59" style="background-color:#fffaf0;"></div>
-
[[Category: Single protein]]
+
== References ==
-
[[Category: Perni, R.B.]]
+
<references/>
-
[[Category: Wei, Y.]]
+
__TOC__
-
[[Category: GG4]]
+
</StructureSection>
-
[[Category: hcv protease]]
+
[[Category: Hepacivirus hominis]]
-
[[Category: viral protein]]
+
[[Category: Large Structures]]
-
 
+
[[Category: Perni RB]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 13 08:14:17 2008''
+
[[Category: Wei Y]]

Current revision

Crystal Structure of Hepatitis C Virus NS3.4A protease

PDB ID 2p59

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2p59"
Personal tools