3qzq - Revision history

OCA at 10:51, 21 February 2024

OCA — Wed, 21 Feb 2024 10:51:06 GMT

←Older revision		Revision as of 10:51, 21 February 2024
Line 3:		Line 3:
	<StructureSection load='3qzq' size='340' side='right'caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3qzq' size='340' side='right'caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Ev-71 Ev-71~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterovirus_A71 Enterovirus A71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</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]] 1.7001Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3osy\|3osy]]</div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [https://pdbe.org/3qzq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [https://www.ebi.ac.uk/pdbsum/3qzq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qzq ProSAT]</span></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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [https://pdbe.org/3qzq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [https://www.ebi.ac.uk/pdbsum/3qzq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qzq ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/E7E815_HE71 E7E815_HE71]
-	EV71 is the primary pathogen causing HFMD, however, the effective antiviral drug is currently unavailable. Rupintrivir, an inhibitor against HRV, has potent antiviral activities against EV71. We determined high-resolution crystal structures of EV71 3C(pro)/rupintrivir complex, showing that although rupintrivir interacts with EV71 3C(pro) similarly as with HRV 3C(pro), the C-terminal of the inhibitor cannot accommodate in the leaving group pockets of EV71 3C(pro). Our structures reveal that EV71 3C(pro) possesses a surface-recessive S2' pocket that is not present in HRV 3C(pro), which contribute to the additional substrate binding affinity. Combined with mutagenic studies, we demonstrated that the catalytic Glu71 is irreplaceable for maintaining the overall architecture of the active site and most importantly, the productive conformation of the catalytic His40. We discovered the role of a previously uncharacterized residue Arg39 of EV71 3C(pro) that can neutralize the negative charge of Glu71, which may subsequently assists the deprotonation of His40 during the proteolysis.	+
-		+
-	Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of the Catalytically Important Residues.,Wang J, Fan T, Yao X, Wu Z, Guo L, Lei X, Wang J, Wang M, Jin Q, Cui S J Virol. 2011 Aug 3. PMID:~~21813612<ref>PMID:21813612<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®~~/~~PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 3qzq" style="background-color:#fffaf0;"><~~/~~div>~~	+

	==See Also==		==See Also==
	*[[Virus protease 3D structures\|Virus protease 3D structures]]		*[[Virus protease 3D structures\|Virus protease 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Ev-71~~]]	+	[[Category: Enterovirus A71]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cui, S]]	+	[[Category: Cui S]]
-	[[Category: Fan, T]]	+	[[Category: Fan T]]
-	[[Category: Guo, L]]	+	[[Category: Guo L]]
-	[[Category: Jin, Q]]	+	[[Category: Jin Q]]
-	[[Category: Lei, X]]	+	[[Category: Lei X]]
-	[[Category: Wang, J]]	+	[[Category: Wang J]]
-	[[Category: Wang, M]]	+	[[Category: Wang M]]
-	[[Category: Wu, Z]]	+	[[Category: Wu Z]]
-	[[Category: Yao, X]]	+	[[Category: Yao X]]
-	~~[[Category: Beta-ribbon]]~~	+
-	~~[[Category: Chymotrypsin-fold]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Hydrolysis]]~~	+
-	~~[[Category: Nucleus~~]]	+

OCA at 05:42, 15 June 2022

OCA — Wed, 15 Jun 2022 05:42:46 GMT

←Older revision		Revision as of 05:42, 15 June 2022
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	<StructureSection load='3qzq' size='340' side='right'caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3qzq' size='340' side='right'caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Ev-71 Ev-71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Ev-71 Ev-71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3osy\|3osy]]</div></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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [~~http~~://pdbe.org/3qzq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3qzq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3qzq ProSAT]</span></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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [https://pdbe.org/3qzq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [https://www.ebi.ac.uk/pdbsum/3qzq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qzq ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 19:		Line 19:

	==See Also==		==See Also==
-	*[[Virus ~~proteases~~ 3D ~~strutures~~\|Virus ~~proteases~~ 3D ~~strutures~~]]	+	*[[Virus protease 3D structures\|Virus protease 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:26, 29 July 2020

OCA — Wed, 29 Jul 2020 12:26:58 GMT

←Older revision		Revision as of 12:26, 29 July 2020
Line 1:		Line 1:

	==Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir==		==Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir==
-	<StructureSection load='3qzq' size='340' side='right' caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='3qzq' size='340' side='right'caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Ev-71 Ev-71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Ev-71 Ev-71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [http://pdbe.org/3qzq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [http://www.ebi.ac.uk/pdbsum/3qzq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qzq 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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [http://pdbe.org/3qzq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [http://www.ebi.ac.uk/pdbsum/3qzq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qzq ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 19:		Line 19:

	==See Also==		==See Also==
-	*[[~~3C protease~~\|~~3C protease~~]]	+	*[[Virus proteases 3D strutures\|Virus proteases 3D strutures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Ev-71]]		[[Category: Ev-71]]
		+	[[Category: Large Structures]]
	[[Category: Cui, S]]		[[Category: Cui, S]]
	[[Category: Fan, T]]		[[Category: Fan, T]]

OCA at 17:25, 9 March 2017

OCA — Thu, 09 Mar 2017 17:25:29 GMT

←Older revision		Revision as of 17:25, 9 March 2017
Line 1:		Line 1:
		+
	==Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir==		==Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir==
	<StructureSection load='3qzq' size='340' side='right' caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3qzq' size='340' side='right' caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [http://www.ebi.ac.uk/pdbsum/3qzq PDBsum]</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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [http://pdbe.org/3qzq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [http://www.ebi.ac.uk/pdbsum/3qzq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qzq ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 15:		Line 16:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3qzq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[3C protease\|3C protease]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:27, 6 May 2015

OCA — Wed, 06 May 2015 07:27:53 GMT

←Older revision		Revision as of 07:27, 6 May 2015
Line 2:		Line 2:
	<StructureSection load='3qzq' size='340' side='right' caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3qzq' size='340' side='right' caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Human_enterovirus_71 Human enterovirus~~ 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Ev-71 Ev-71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>
Line 19:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human enterovirus~~ 71]]	+	[[Category: Ev-71]]
	[[Category: Cui, S]]		[[Category: Cui, S]]
	[[Category: Fan, T]]		[[Category: Fan, T]]

OCA at 22:40, 3 January 2015

OCA — Sat, 03 Jan 2015 22:40:30 GMT

←Older revision		Revision as of 22:40, 3 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_71 Human enterovirus 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_71 Human enterovirus 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [http://www.ebi.ac.uk/pdbsum/3qzq PDBsum]</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=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [http://www.ebi.ac.uk/pdbsum/3qzq PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 13:		Line 13:
	Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of the Catalytically Important Residues.,Wang J, Fan T, Yao X, Wu Z, Guo L, Lei X, Wang J, Wang M, Jin Q, Cui S J Virol. 2011 Aug 3. PMID:21813612<ref>PMID:21813612</ref>		Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of the Catalytically Important Residues.,Wang J, Fan T, Yao X, Wu Z, Guo L, Lei X, Wang J, Wang M, Jin Q, Cui S J Virol. 2011 Aug 3. PMID:21813612<ref>PMID:21813612</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, a database of the U.S. National Library of Medicine.<br>	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
	== References ==		== References ==
Line 20:		Line 20:
	</StructureSection>		</StructureSection>
	[[Category: Human enterovirus 71]]		[[Category: Human enterovirus 71]]
-	[[Category: Cui, S.]]	+	[[Category: Cui, S]]
-	[[Category: Fan, T.]]	+	[[Category: Fan, T]]
-	[[Category: Guo, L.]]	+	[[Category: Guo, L]]
-	[[Category: Jin, Q.]]	+	[[Category: Jin, Q]]
-	[[Category: Lei, X.]]	+	[[Category: Lei, X]]
-	[[Category: Wang, J.]]	+	[[Category: Wang, J]]
-	[[Category: Wang, M.]]	+	[[Category: Wang, M]]
-	[[Category: Wu, Z.]]	+	[[Category: Wu, Z]]
-	[[Category: Yao, X.]]	+	[[Category: Yao, X]]
	[[Category: Beta-ribbon]]		[[Category: Beta-ribbon]]
	[[Category: Chymotrypsin-fold]]		[[Category: Chymotrypsin-fold]]

OCA at 04:44, 5 June 2014

OCA — Thu, 05 Jun 2014 04:44:47 GMT

←Older revision		Revision as of 04:44, 5 June 2014
Line 1:		Line 1:
-	[[~~Image:~~3qzq.~~png~~\|~~left~~\|~~200px~~]]	+	==Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir==
		+	<StructureSection load='3qzq' size='340' side='right' caption='[[3qzq]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_71 Human enterovirus 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QZQ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3osy\|3osy]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qzq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qzq RCSB], [http://www.ebi.ac.uk/pdbsum/3qzq PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	EV71 is the primary pathogen causing HFMD, however, the effective antiviral drug is currently unavailable. Rupintrivir, an inhibitor against HRV, has potent antiviral activities against EV71. We determined high-resolution crystal structures of EV71 3C(pro)/rupintrivir complex, showing that although rupintrivir interacts with EV71 3C(pro) similarly as with HRV 3C(pro), the C-terminal of the inhibitor cannot accommodate in the leaving group pockets of EV71 3C(pro). Our structures reveal that EV71 3C(pro) possesses a surface-recessive S2' pocket that is not present in HRV 3C(pro), which contribute to the additional substrate binding affinity. Combined with mutagenic studies, we demonstrated that the catalytic Glu71 is irreplaceable for maintaining the overall architecture of the active site and most importantly, the productive conformation of the catalytic His40. We discovered the role of a previously uncharacterized residue Arg39 of EV71 3C(pro) that can neutralize the negative charge of Glu71, which may subsequently assists the deprotonation of His40 during the proteolysis.

-	~~<!--~~	+	Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of the Catalytically Important Residues.,Wang J, Fan T, Yao X, Wu Z, Guo L, Lei X, Wang J, Wang M, Jin Q, Cui S J Virol. 2011 Aug 3. PMID:21813612<ref>PMID:21813612</ref>
-	~~The line below this paragraph, containing "STRUCTURE_3qzq", creates~~ the ~~"Structure Box" on~~ the ~~page~~.	+
-	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~	+
-	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded)~~,	+
-	~~or leave the SCENE parameter empty for the default display~~.	+
-	-->	+
-	~~{{STRUCTURE_3qzq\| PDB=3qzq \| SCENE= }}~~	+

-	~~===Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph~~, ~~{{ABSTRACT_PUBMED_21813612}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 21813612 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_21813612}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3qzq]] is a 4 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Human_enterovirus_71 Human enterovirus 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:021813612<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Human enterovirus 71]]		[[Category: Human enterovirus 71]]
	[[Category: Cui, S.]]		[[Category: Cui, S.]]

OCA at 05:09, 24 August 2011

OCA — Wed, 24 Aug 2011 05:09:58 GMT

←Older revision		Revision as of 05:09, 24 August 2011
Line 1:		Line 1:
-	[[Image:3qzq.~~jpg~~\|left\|200px]]	+	[[Image:3qzq.png\|left\|200px]]

	<!--		<!--
Line 11:		Line 11:
	===Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir===		===Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21813612}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21813612 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21813612}}

	==About this Structure==		==About this Structure==
	[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_71 Human enterovirus 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA].		[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_71 Human enterovirus 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021813612</ref><references group="xtra"/>
	[[Category: Human enterovirus 71]]		[[Category: Human enterovirus 71]]
	[[Category: Cui, S.]]		[[Category: Cui, S.]]
-	[[Category: Wang, M T.]]	+	[[Category: Fan, T.]]
		+	[[Category: Guo, L.]]
		+	[[Category: Jin, Q.]]
		+	[[Category: Lei, X.]]
		+	[[Category: Wang, J.]]
		+	[[Category: Wang, M.]]
		+	[[Category: Wu, Z.]]
		+	[[Category: Yao, X.]]
	[[Category: Beta-ribbon]]		[[Category: Beta-ribbon]]
	[[Category: Chymotrypsin-fold]]		[[Category: Chymotrypsin-fold]]

OCA at 06:17, 10 August 2011

OCA — Wed, 10 Aug 2011 06:17:07 GMT

←Older revision		Revision as of 06:17, 10 August 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3qzq.jpg\|left\|200px]]

-	The ~~entry 3qzq~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3qzq", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3qzq\| PDB=3qzq \| SCENE= }}

-	~~Authors: Cui, S., Wang, M.T.~~	+	===Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir===

-	~~Description: Cysteine protease mutant E71D in complex~~ with inhibitor	+
		+	==About this Structure==
		+	[[3qzq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_enterovirus_71 Human enterovirus 71]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QZQ OCA].
		+	[[Category: Human enterovirus 71]]
		+	[[Category: Cui, S.]]
		+	[[Category: Wang, M T.]]
		+	[[Category: Beta-ribbon]]
		+	[[Category: Chymotrypsin-fold]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Hydrolysis]]
		+	[[Category: Nucleus]]

OCA at 06:52, 27 April 2011

OCA — Wed, 27 Apr 2011 06:52:33 GMT

←Older revision		Revision as of 06:52, 27 April 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3qzq is ON HOLD	+	The entry 3qzq is ON HOLD until Paper Publication

	Authors: Cui, S., Wang, M.T.		Authors: Cui, S., Wang, M.T.

	Description: Cysteine protease mutant E71D in complex with inhibitor		Description: Cysteine protease mutant E71D in complex with inhibitor