1p76 - Revision history

OCA at 09:25, 8 September 2021

OCA — Wed, 08 Sep 2021 09:25:59 GMT

←Older revision		Revision as of 09:25, 8 September 2021
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	<StructureSection load='1p76' size='340' side='right'caption='[[1p76]]' scene=''>		<StructureSection load='1p76' size='340' side='right'caption='[[1p76]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1P76 FirstGlance]. <br>	+	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1P76 FirstGlance]. <br>
-	</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=1p76 FirstGlance], [~~http~~://www.ebi.ac.uk/pdbsum/1p76 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1p76 ProSAT]</span></td></tr>	+	</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=1p76 FirstGlance], [https://www.ebi.ac.uk/pdbsum/1p76 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1p76 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 10:35, 27 November 2019

OCA — Wed, 27 Nov 2019 10:35:07 GMT

←Older revision		Revision as of 10:35, 27 November 2019
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	==3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE==		==3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE==
-	<StructureSection load='1p76' size='340' side='right' caption='[[1p76]]' scene=''>	+	<StructureSection load='1p76' size='340' side='right'caption='[[1p76]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P76 FirstGlance]. <br>		<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P76 FirstGlance]. <br>
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	</StructureSection>		</StructureSection>
	[[Category: Theoretical Model]]		[[Category: Theoretical Model]]
		+	[[Category: Large Structures]]
	[[Category: Pang, Y.-P]]		[[Category: Pang, Y.-P]]

OCA at 08:00, 15 February 2018

OCA — Thu, 15 Feb 2018 08:00:57 GMT

←Older revision		Revision as of 08:00, 15 February 2018
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P76 FirstGlance]. <br>		<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P76 FirstGlance]. <br>
-	</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=1p76 FirstGlance], [http://www.ebi.ac.uk/pdbsum/1p76 PDBsum]</span></td></tr>	+	</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=1p76 FirstGlance], [http://www.ebi.ac.uk/pdbsum/1p76 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1p76 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 09:38, 11 February 2016

OCA — Thu, 11 Feb 2016 09:38:50 GMT

←Older revision		Revision as of 09:38, 11 February 2016
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		+	{{Theoretical_model}}
		+
	==3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE==		==3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE==
	<StructureSection load='1p76' size='340' side='right' caption='[[1p76]]' scene=''>		<StructureSection load='1p76' size='340' side='right' caption='[[1p76]]' scene=''>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Theoretical Model]]
	[[Category: Pang, Y.-P]]		[[Category: Pang, Y.-P]]

OCA at 20:33, 10 September 2015

OCA — Thu, 10 Sep 2015 20:33:11 GMT

←Older revision		Revision as of 20:33, 10 September 2015
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	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 1p76" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:29, 6 January 2015

OCA — Tue, 06 Jan 2015 08:29:42 GMT

←Older revision		Revision as of 08:29, 6 January 2015
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P76 FirstGlance]. <br>		<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P76 FirstGlance]. <br>
-	</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=1p76 FirstGlance], [http://www.ebi.ac.uk/pdbsum/1p76 PDBsum]</span></td></tr>	+	</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=1p76 FirstGlance], [http://www.ebi.ac.uk/pdbsum/1p76 PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 23:06, 28 September 2014

OCA — Sun, 28 Sep 2014 23:06:53 GMT

←Older revision		Revision as of 23:06, 28 September 2014
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-	~~{{Theoretical_model}}~~	+	==3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE==
		+	<StructureSection load='1p76' size='340' side='right' caption='[[1p76]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P76 FirstGlance]. <br>
		+	</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=1p76 FirstGlance], [http://www.ebi.ac.uk/pdbsum/1p76 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Severe acute respiratory syndrome (SARS) is a contagious and deadly disease caused by a new coronavirus. The protein sequence of the chymotrypsin-like cysteine proteinase (CCP) responsible for SARS viral replication has been identified as a target for developing anti-SARS drugs. Here, I report the ATVRLQ(p1)A(p1')-bound CCP 3D model predicted by 420 different molecular dynamics simulations (2.0 ns for each simulation with a 1.0-fs time step). This theoretical model was released at the Protein Data Bank (PDB; code: 1P76) before the release of the first X-ray structure of CCP (PDB code: 1Q2W). In contrast to the catalytic dyad observed in X-ray structures of CCP and other coronavirus cysteine proteinases, a catalytic triad comprising Asp187, His41, and Cys145 is found in the theoretical model of the substrate-bound CCP. The simulations of the CCP complex suggest that substrate binding leads to the displacement of a water molecule entrapped by Asp187 and His41, thus converting the dyad to a more efficient catalytic triad. The CCP complex structure has an expanded active-site pocket that is useful for anti-SARS drug design. In addition, this work demonstrates that multiple molecular dynamics simulations are effective in correcting errors that result from low-sequence-identity homology modeling.

-	~~[[Image~~:~~1p76~~.~~png\|left\|200px]]~~	+	Three-dimensional model of a substrate-bound SARS chymotrypsin-like cysteine proteinase predicted by multiple molecular dynamics simulations: catalytic efficiency regulated by substrate binding.,Pang YP Proteins. 2004 Dec 1;57(4):747-57. PMID:15690493<ref>PMID:15690493</ref>

-	~~{{STRUCTURE_1p76\| PDB=1p76 \| SCENE= }}~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	==~~=3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE===~~	+	== References ==
-		+	<references/>
-	~~{{ABSTRACT_PUBMED_15690493}}~~	+	__TOC__
-		+	</StructureSection>
-	~~==Reference~~==	+
-	<~~ref group="xtra">PMID:015690493<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Pang, Y.-P]]		[[Category: Pang, Y.-P]]

OCA: Protected "1p76" [edit=sysop:move=sysop]

OCA — Sun, 21 Oct 2012 10:05:23 GMT

Protected "1p76" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:05, 21 October 2012

OCA at 10:05, 21 October 2012

OCA — Sun, 21 Oct 2012 10:05:19 GMT

←Older revision		Revision as of 10:05, 21 October 2012
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	{{Theoretical_model}}		{{Theoretical_model}}
-	~~{{Seed}}~~	+
	[[Image:1p76.png\|left\|200px]]		[[Image:1p76.png\|left\|200px]]

-	<!--
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	{{STRUCTURE_1p76\| PDB=1p76 \| SCENE= }}		{{STRUCTURE_1p76\| PDB=1p76 \| SCENE= }}

	===3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE===		===3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_15690493}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 15690493 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_15690493}}		{{ABSTRACT_PUBMED_15690493}}
-
-	==About this Structure==
-	Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P76 OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~15690493~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:015690493</ref><references group="xtra"/>
	[[Category: Pang, Y.-P]]		[[Category: Pang, Y.-P]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Apr 8 09:31:31 2010''

OCA at 06:31, 8 April 2010

OCA — Thu, 08 Apr 2010 06:31:32 GMT

←Older revision		Revision as of 06:31, 8 April 2010
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-	~~'''Theoretical Model'''~~	+	{{Theoretical_model}}
		+	{{Seed}}
		+	[[Image:1p76.png\|left\|200px]]

-	The ~~entry 1P76~~ is ~~a Theoretical Model titled '3D STRUCTURE OF THE SUBSTRATE~~-~~BOUND SARS CHYMOTRYPSIN~~-~~LIKE CYSTEINE PROTEINASE'.~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_1p76", 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_1p76\| PDB=1p76 \| SCENE= }}

-	~~[[Category:Theoretical Model]]~~	+	===3D STRUCTURE OF THE SUBSTRATE-BOUND SARS CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE===


-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Wed Jul 30~~ 09:52:~~34 2008~~''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_15690493}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 15690493 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_15690493}}
		+
		+	==About this Structure==
		+	Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P76 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:15690493</ref><references group="xtra"/>
		+	[[Category: Pang, Y.-P]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Apr 8 09:31:31 2010''