5c20 - Revision history

OCA at 16:06, 8 November 2023

OCA — Wed, 08 Nov 2023 16:06:00 GMT

←Older revision		Revision as of 16:06, 8 November 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5C20 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5C20 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</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]] 2.75Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [https://pdbe.org/5c20 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [https://www.ebi.ac.uk/pdbsum/5c20 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5c20 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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [https://pdbe.org/5c20 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [https://www.ebi.ac.uk/pdbsum/5c20 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5c20 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 06:16, 7 June 2023

OCA — Wed, 07 Jun 2023 06:16:51 GMT

←Older revision		Revision as of 06:16, 7 June 2023
Line 3:		Line 3:
	<StructureSection load='5c20' size='340' side='right'caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='5c20' size='340' side='right'caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5C20 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5C20 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [https://pdbe.org/5c20 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [https://www.ebi.ac.uk/pdbsum/5c20 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5c20 ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Picornain_3C Picornain 3C], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.28 3.4.22.28] </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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [~~http~~://pdbe.org/5c20 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5c20 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5c20 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/~~A9XG43_9ENTO A9XG43_9ENTO~~]] ~~Protein 2C associates~~ with and induces ~~structural rearrangements~~ of ~~intracellular membranes~~. ~~It displays~~ RNA~~-binding~~, ~~nucleotide~~ binding and ~~NTPase activities~~ (By similarity).[~~SAAS~~:~~SAAS000199_004_016611~~] ~~Protein 3C~~ is a ~~cysteine~~ protease that ~~generates mature~~ viral proteins ~~from~~ the ~~precursor~~ polyprotein. ~~In addition~~ to ~~its proteolytic activity~~, ~~it binds~~ to ~~viral RNA~~, and ~~thus influences~~ viral genome replication. RNA and ~~substrate bind co~~-~~operatively~~ to the ~~protease~~ (~~By similarity~~).[~~SAAS~~:~~SAAS000199_004_042266~~] RNA-directed RNA polymerase 3D-~~POL replicates~~ genomic and ~~antigenomic~~ RNA ~~by recognizing replications specific signals~~ (~~By similarity~~).[~~SAAS~~:~~SAAS000199_004_010047~~]	+	[https://www.uniprot.org/uniprot/A9XG43_HE71 A9XG43_HE71] Acts as a primer for viral RNA replication and remains covalently bound to viral genomic RNA. VPg is uridylylated prior to priming replication into VPg-pUpU (By similarity). The oriI viral genomic sequence may act as a template for this. The VPg-pUpU is then used as primer on the genomic RNA poly(A) by the RNA-dependent RNA polymerase to replicate the viral genome (By similarity). Following genome release from the infecting virion in the cytoplasm, the VPg-RNA linkage is probably removed by host TDP2 (By similarity). During the late stage of the replication cycle, host TDP2 is excluded from sites of viral RNA synthesis and encapsidation, allowing for the generation of progeny virions.[ARBA:ARBA00024846] Capsid protein VP0: Component of immature procapsids, which is cleaved into capsid proteins VP4 and VP2 after maturation. Allows the capsid to remain inactive before the maturation step.[RuleBase:RU364118] Capsid protein VP1: Forms an icosahedral capsid of pseudo T=3 symmetry with capsid proteins VP2 and VP3. The capsid is 300 Angstroms in diameter, composed of 60 copies of each capsid protein and enclosing the viral positive strand RNA genome. Capsid protein VP1 mainly forms the vertices of the capsid. Capsid protein VP1 interacts with host cell receptor to provide virion attachment to target host cells. This attachment induces virion internalization. Tyrosine kinases are probably involved in the entry process. After binding to its receptor, the capsid undergoes conformational changes. Capsid protein VP1 N-terminus (that contains an amphipathic alpha-helix) and capsid protein VP4 are externalized. Together, they shape a pore in the host membrane through which viral genome is translocated to host cell cytoplasm. After genome has been released, the channel shrinks.[RuleBase:RU364118] Capsid protein VP2: Forms an icosahedral capsid of pseudo T=3 symmetry with capsid proteins VP2 and VP3. The capsid is 300 Angstroms in diameter, composed of 60 copies of each capsid protein and enclosing the viral positive strand RNA genome.[RuleBase:RU364118] Capsid protein VP3: Forms an icosahedral capsid of pseudo T=3 symmetry with capsid proteins VP2 and VP3. The capsid is 300 Angstroms in diameter, composed of 60 copies of each capsid protein and enclosing the viral positive strand RNA genome.[RuleBase:RU364118] Capsid protein VP4: Lies on the inner surface of the capsid shell. After binding to the host receptor, the capsid undergoes conformational changes. Capsid protein VP4 is released, Capsid protein VP1 N-terminus is externalized, and together, they shape a pore in the host membrane through which the viral genome is translocated into the host cell cytoplasm.[RuleBase:RU364118] Component of immature procapsids, which is cleaved into capsid proteins VP4 and VP2 after maturation (By similarity). Allows the capsid to remain inactive before the maturation step.[ARBA:ARBA00025202] Forms an icosahedral capsid of pseudo T=3 symmetry with capsid proteins VP2 and VP3 (By similarity). The capsid is 300 Angstroms in diameter, composed of 60 copies of each capsid protein and enclosing the viral positive strand RNA genome.[ARBA:ARBA00025306] Lies on the inner surface of the capsid shell (By similarity). After binding to the host receptor, the capsid undergoes conformational changes (By similarity). Capsid protein VP4 is released, Capsid protein VP1 N-terminus is externalized, and together, they shape a pore in the host membrane through which the viral genome is translocated into the host cell cytoplasm.[ARBA:ARBA00024643] Protease 2A: Cysteine protease that cleaves viral polyprotein and specific host proteins.[RuleBase:RU364118] Protease 3C: Major viral protease that mediates proteolytic processing of the polyprotein. Cleaves host EIF5B, contributing to host translation shutoff. Cleaves also host PABPC1, contributing to host translation shutoff.[RuleBase:RU364118] Protein 2B: Plays an essential role in the virus replication cycle by acting as a viroporin. Creates a pore in the host reticulum endoplasmic and as a consequence releases Ca2+ in the cytoplasm of infected cell. In turn, high levels of cytoplasmic calcium may trigger membrane trafficking and transport of viral ER-associated proteins to viroplasms, sites of viral genome replication.[RuleBase:RU364118] Protein 2C: Induces and associates with structural rearrangements of intracellular membranes. Displays RNA-binding, nucleotide binding and NTPase activities. May play a role in virion morphogenesis and viral RNA encapsidation by interacting with the capsid protein VP3.[RuleBase:RU364118] Protein 3A: Localizes the viral replication complex to the surface of membranous vesicles. It inhibits host cell endoplasmic reticulum-to-Golgi apparatus transport and causes the disassembly of the Golgi complex, possibly through GBF1 interaction. This would result in depletion of MHC, trail receptors and IFN receptors at the host cell surface.[RuleBase:RU364118] Protein 3AB: Localizes the viral replication complex to the surface of membranous vesicles. Together with protein 3CD binds the Cis-Active RNA Element (CRE) which is involved in RNA synthesis initiation. Acts as a cofactor to stimulate the activity of 3D polymerase, maybe through a nucleid acid chaperone activity.[RuleBase:RU364118] Protein 3CD: Involved in the viral replication complex and viral polypeptide maturation. It exhibits protease activity with a specificity and catalytic efficiency that is different from protease 3C. Protein 3CD lacks polymerase activity. Protein 3CD binds to the 5'UTR of the viral genome.[RuleBase:RU364118] RNA-directed RNA polymerase: Replicates the viral genomic RNA on the surface of intracellular membranes. May form linear arrays of subunits that propagate along a strong head-to-tail interaction called interface-I. Covalently attaches UMP to a tyrosine of VPg, which is used to prime RNA synthesis. The positive stranded RNA genome is first replicated at virus induced membranous vesicles, creating a dsRNA genomic replication form. This dsRNA is then used as template to synthesize positive stranded RNA genomes. ss(+)RNA genomes are either translated, replicated or encapsidated.[RuleBase:RU364118] Viral protein genome-linked: acts as a primer for viral RNA replication and remains covalently bound to viral genomic RNA. VPg is uridylylated prior to priming replication into VPg-pUpU. The oriI viral genomic sequence may act as a template for this. The VPg-pUpU is then used as primer on the genomic RNA poly(A) by the RNA-dependent RNA polymerase to replicate the viral genome.[RuleBase:RU364118]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 5c20" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5c20" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Proteinase 3D structures\|Proteinase 3D structures]]
		+	*[[Virus protease 3D structures\|Virus protease 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Ev-71~~]]	+	[[Category: Enterovirus A71]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Picornain 3C]]~~	+	[[Category: Cai Q]]
-	[[Category: Cai, Q]]	+	[[Category: Chen S]]
-	[[Category: Chen, S]]	+	[[Category: Huang G]]
-	[[Category: Huang, G]]	+	[[Category: Li J]]
-	[[Category: Li, J]]	+	[[Category: Li N]]
-	[[Category: Li, N]]	+	[[Category: Li P]]
-	[[Category: Li, P]]	+	[[Category: Lin T]]
-	[[Category: Lin, T]]	+	[[Category: Ren H]]
-	[[Category: Ren, H]]	+	[[Category: Zhang L]]
-	[[Category: Zhang, L]]	+	[[Category: Zhao C]]
-	[[Category: Zhao, C]]	+
-	~~[[Category: Cysteine proteinase]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 06:58, 2 September 2020

OCA — Wed, 02 Sep 2020 06:58:45 GMT

←Older revision		Revision as of 06:58, 2 September 2020
Line 3:		Line 3:
	<StructureSection load='5c20' size='340' side='right'caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='5c20' size='340' side='right'caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5C20 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5C20 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Picornain_3C Picornain 3C], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.28 3.4.22.28] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Picornain_3C Picornain 3C], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.28 3.4.22.28] </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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [http://pdbe.org/5c20 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [http://www.ebi.ac.uk/pdbsum/5c20 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5c20 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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [http://pdbe.org/5c20 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [http://www.ebi.ac.uk/pdbsum/5c20 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5c20 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==

OCA at 11:08, 18 March 2020

OCA — Wed, 18 Mar 2020 11:08:42 GMT

←Older revision		Revision as of 11:08, 18 March 2020
Line 1:		Line 1:

	==Crystal structure of EV71 3C Proteinase in complex with Compound 2==		==Crystal structure of EV71 3C Proteinase in complex with Compound 2==
-	<StructureSection load='5c20' size='340' side='right' caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>	+	<StructureSection load='5c20' size='340' side='right'caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5C20 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5C20 FirstGlance]. <br>
Line 25:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Ev-71]]		[[Category: Ev-71]]
		+	[[Category: Large Structures]]
	[[Category: Picornain 3C]]		[[Category: Picornain 3C]]
	[[Category: Cai, Q]]		[[Category: Cai, Q]]

OCA at 12:24, 6 November 2017

OCA — Mon, 06 Nov 2017 12:24:34 GMT

←Older revision		Revision as of 12:24, 6 November 2017
Line 3:		Line 3:
	<StructureSection load='5c20' size='340' side='right' caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='5c20' size='340' side='right' caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5c20]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5C20 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5c20]] is a 1 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=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5C20 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</td></tr>
Line 24:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ev-71]]
	[[Category: Picornain 3C]]		[[Category: Picornain 3C]]
	[[Category: Cai, Q]]		[[Category: Cai, Q]]

OCA at 11:20, 26 October 2016

OCA — Wed, 26 Oct 2016 11:20:31 GMT

←Older revision		Revision as of 11:20, 26 October 2016
Line 7:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Picornain_3C Picornain 3C], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.28 3.4.22.28] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Picornain_3C Picornain 3C], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.28 3.4.22.28] </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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [http://pdbe.org/5c20 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [http://www.ebi.ac.uk/pdbsum/5c20 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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [http://pdbe.org/5c20 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [http://www.ebi.ac.uk/pdbsum/5c20 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5c20 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==

OCA at 15:37, 1 June 2016

OCA — Wed, 01 Jun 2016 15:37:15 GMT

←Older revision		Revision as of 15:37, 1 June 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5c20 is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Crystal structure of EV71 3C Proteinase in complex with Compound 2==
		+	<StructureSection load='5c20' size='340' side='right' caption='[[5c20]], [[Resolution\|resolution]] 2.75Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5c20]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5C20 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5C20 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GHZ:NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L-PHENYLALANINAMIDE'>GHZ</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ghq\|4ghq]], [[4ght\|4ght]], [[5c1u\|5c1u]], [[5c1x\|5c1x]], [[5c1y\|5c1y]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Picornain_3C Picornain 3C], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.28 3.4.22.28] </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=5c20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5c20 OCA], [http://pdbe.org/5c20 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5c20 RCSB], [http://www.ebi.ac.uk/pdbsum/5c20 PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/A9XG43_9ENTO A9XG43_9ENTO]] Protein 2C associates with and induces structural rearrangements of intracellular membranes. It displays RNA-binding, nucleotide binding and NTPase activities (By similarity).[SAAS:SAAS000199_004_016611] Protein 3C is a cysteine protease that generates mature viral proteins from the precursor polyprotein. In addition to its proteolytic activity, it binds to viral RNA, and thus influences viral genome replication. RNA and substrate bind co-operatively to the protease (By similarity).[SAAS:SAAS000199_004_042266] RNA-directed RNA polymerase 3D-POL replicates genomic and antigenomic RNA by recognizing replications specific signals (By similarity).[SAAS:SAAS000199_004_010047]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Enterovirus 71 (EV71) is the causative agent of hand, foot and mouth disease and can spread its infections to the central nervous and other systems with severe consequences. The replication of EV71 depends on its 3C proteinase (3Cpro ), a significant drug target. By X-ray crystallography and functional assays, the interactions between inhibitors and EV71 3Cpro were evaluated. It was shown that improved interactions at S4 for the substrate binding could significantly enhance the potency. A new series of potent inhibitors with high ligand efficiency was generated for developing antivirals to treat and control the EV71-associated diseases. Copyright (c) 2016 John Wiley & Sons, Ltd.

-	~~Authors:~~ Zhang, L., Huang, G., Cai, Q., Zhao, C., Ren, H., Li, P., Li, N., Chen, S., Li, J., Lin, T.	+	Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71.,Zhang L, Huang G, Cai Q, Zhao C, Tang L, Ren H, Li P, Li N, Huang J, Chen X, Guan Y, You H, Chen S, Li J, Lin T J Mol Recognit. 2016 May 17. doi: 10.1002/jmr.2551. PMID:27185390<ref>PMID:27185390</ref>

-	~~Description: Crystal structure~~ of ~~EV71 3C Proteinase in complex with Compound 2~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5c20" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Picornain 3C]]
	[[Category: Cai, Q]]		[[Category: Cai, Q]]
-	[[Category: Zhao, C]]
-	[[Category: Lin, T]]
-	[[Category: Li, J]]
-	[[Category: Zhang, L]]
-	[[Category: Huang, G]]
-	[[Category: Ren, H]]
	[[Category: Chen, S]]		[[Category: Chen, S]]
		+	[[Category: Huang, G]]
		+	[[Category: Li, J]]
	[[Category: Li, N]]		[[Category: Li, N]]
	[[Category: Li, P]]		[[Category: Li, P]]
		+	[[Category: Lin, T]]
		+	[[Category: Ren, H]]
		+	[[Category: Zhang, L]]
		+	[[Category: Zhao, C]]
		+	[[Category: Cysteine proteinase]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Inhibitor]]

OCA at 10:18, 16 December 2015

OCA — Wed, 16 Dec 2015 10:18:53 GMT

←Older revision		Revision as of 10:18, 16 December 2015
Line 8:		Line 8:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Cai, Q]]		[[Category: Cai, Q]]
		+	[[Category: Zhao, C]]
	[[Category: Lin, T]]		[[Category: Lin, T]]
	[[Category: Li, J]]		[[Category: Li, J]]
-	[[Category: Ren, H]]
-	[[Category: Li, P]]
-	[[Category: Zhao, C]]
	[[Category: Zhang, L]]		[[Category: Zhang, L]]
	[[Category: Huang, G]]		[[Category: Huang, G]]
		+	[[Category: Ren, H]]
	[[Category: Chen, S]]		[[Category: Chen, S]]
	[[Category: Li, N]]		[[Category: Li, N]]
		+	[[Category: Li, P]]

OCA at 10:11, 9 December 2015

OCA — Wed, 09 Dec 2015 10:11:50 GMT

←Older revision		Revision as of 10:11, 9 December 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5c20 is ON HOLD	+	The entry 5c20 is ON HOLD until Paper Publication

	Authors: Zhang, L., Huang, G., Cai, Q., Zhao, C., Ren, H., Li, P., Li, N., Chen, S., Li, J., Lin, T.		Authors: Zhang, L., Huang, G., Cai, Q., Zhao, C., Ren, H., Li, P., Li, N., Chen, S., Li, J., Lin, T.

OCA: Protected "5c20" [edit=sysop:move=sysop]

OCA — Wed, 24 Jun 2015 11:57:25 GMT

Protected "5c20" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:57, 24 June 2015