2zq1 - Revision history

OCA at 13:48, 1 November 2023

OCA — Wed, 01 Nov 2023 13:48:12 GMT

←Older revision		Revision as of 13:48, 1 November 2023
Line 3:		Line 3:
	<StructureSection load='2zq1' size='340' side='right'caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>		<StructureSection load='2zq1' size='340' side='right'caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Bovin Bovin~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.68Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [https://pdbe.org/2zq1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [https://www.ebi.ac.uk/pdbsum/2zq1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2zq1 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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [https://pdbe.org/2zq1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [https://www.ebi.ac.uk/pdbsum/2zq1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2zq1 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bovin~~]]	+	[[Category: Bos taurus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Trypsin]]~~	+	[[Category: Baum B]]
-	[[Category: Baum, B]]	+	[[Category: Brandt T]]
-	[[Category: Brandt, T]]	+	[[Category: Heine A]]
-	[[Category: Heine, A]]	+	[[Category: Klebe G]]
-	[[Category: Klebe, G]]	+
-	~~[[Category: Digestion]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase inhibitor]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Metal-binding]]~~	+
-	~~[[Category: Protease]]~~	+
-	~~[[Category: Secreted]]~~	+
-	~~[[Category: Serine protease]]~~	+
-	~~[[Category: Zymogen~~]]	+

OCA at 17:35, 15 December 2021

OCA — Wed, 15 Dec 2021 17:35:22 GMT

←Older revision		Revision as of 17:35, 15 December 2021
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	<StructureSection load='2zq1' size='340' side='right'caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>		<StructureSection load='2zq1' size='340' side='right'caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [~~http~~://pdbe.org/2zq1 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2zq1 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2zq1 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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [https://pdbe.org/2zq1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [https://www.ebi.ac.uk/pdbsum/2zq1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2zq1 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 30:		Line 30:

	==See Also==		==See Also==
-	*[[Trypsin\|Trypsin]]	+	*[[Trypsin 3D structures\|Trypsin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:26, 31 July 2019

OCA — Wed, 31 Jul 2019 07:26:23 GMT

←Older revision		Revision as of 07:26, 31 July 2019
Line 1:		Line 1:

	==Exploring trypsin S3 pocket==		==Exploring trypsin S3 pocket==
-	<StructureSection load='2zq1' size='340' side='right' caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>	+	<StructureSection load='2zq1' size='340' side='right'caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>
Line 13:		Line 13:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zq/2zq1_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zq/2zq1_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 28:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 2zq1" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2zq1" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Trypsin\|Trypsin]]
	== References ==		== References ==
	<references/>		<references/>
Line 33:		Line 36:
	</StructureSection>		</StructureSection>
	[[Category: Bovin]]		[[Category: Bovin]]
		+	[[Category: Large Structures]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
	[[Category: Baum, B]]		[[Category: Baum, B]]

OCA at 08:21, 12 October 2017

OCA — Thu, 12 Oct 2017 08:21:49 GMT

←Older revision		Revision as of 08:21, 12 October 2017
Line 1:		Line 1:
		+
	==Exploring trypsin S3 pocket==		==Exploring trypsin S3 pocket==
	<StructureSection load='2zq1' size='340' side='right' caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>		<StructureSection load='2zq1' size='340' side='right' caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Bos_taurus Bos taurus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [http://pdbe.org/2zq1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [http://www.ebi.ac.uk/pdbsum/2zq1 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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [http://pdbe.org/2zq1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [http://www.ebi.ac.uk/pdbsum/2zq1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2zq1 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 27:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 2zq1" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2zq1" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Trypsin\|Trypsin]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bos taurus~~]]	+	[[Category: Bovin]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
	[[Category: Baum, B]]		[[Category: Baum, B]]

OCA at 02:12, 7 February 2016

OCA — Sun, 07 Feb 2016 02:12:43 GMT

←Older revision		Revision as of 02:12, 7 February 2016
Line 6:		Line 6:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [http://www.ebi.ac.uk/pdbsum/2zq1 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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [http://pdbe.org/2zq1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [http://www.ebi.ac.uk/pdbsum/2zq1 PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 16:		Line 16:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2zq1 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 26:		Line 26:
	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 2zq1" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 07:54, 20 January 2015

OCA — Tue, 20 Jan 2015 07:54:40 GMT

←Older revision		Revision as of 07:54, 20 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [http://www.ebi.ac.uk/pdbsum/2zq1 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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [http://www.ebi.ac.uk/pdbsum/2zq1 PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 35:
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
-	[[Category: Baum, B.]]	+	[[Category: Baum, B]]
-	[[Category: Brandt, T.]]	+	[[Category: Brandt, T]]
-	[[Category: Heine, A.]]	+	[[Category: Heine, A]]
-	[[Category: Klebe, G.]]	+	[[Category: Klebe, G]]
	[[Category: Digestion]]		[[Category: Digestion]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 05:20, 3 October 2014

OCA — Fri, 03 Oct 2014 05:20:09 GMT

←Older revision		Revision as of 05:20, 3 October 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_2zq1~~\| ~~PDB~~=2zq1 \| ~~SCENE~~= }}	+	==Exploring trypsin S3 pocket==
-	===~~Exploring trypsin S3 pocket~~===	+	<StructureSection load='2zq1' size='340' side='right' caption='[[2zq1]], [[Resolution\|resolution]] 1.68Å' scene=''>
-	~~{{ABSTRACT_PUBMED_21111747}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZQ1 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=11U:(S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE'>11U</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2zfs\|2zfs]], [[2zft\|2zft]], [[2zhd\|2zhd]], [[3biv\|3biv]], [[2zq2\|2zq2]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] </span></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=2zq1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zq1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zq1 RCSB], [http://www.ebi.ac.uk/pdbsum/2zq1 PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zq/2zq1_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A congeneric series of benzamidine-type ligands with a central proline moiety and a terminal cycloalkyl group-linked by a secondary amine, ether, or methylene bridge-was synthesized as trypsin inhibitors. This series of inhibitors was investigated by isothermal titration calorimetry, crystal structure analysis in two crystal forms, and molecular dynamics simulations. Even though all of these congeneric ligands exhibited essentially the same affinity for trypsin, their binding profiles at the structural, dynamic, and thermodynamic levels are very distinct. The ligands display a pronounced enthalpy/entropy compensation that results in a nearly unchanged free energy of binding, even though individual enthalpy and entropy terms change significantly across the series. Crystal structures revealed that the secondary amine-linked analogs scatter over two distinct conformational families of binding modes that occupy either the inside or the outside the protein's S3/S4 specificity pocket. In contrast, the ether-linked and methylene-linked ligands preferentially occupy the hydrophobic specificity pocket. This also explains why the latter ligands could only be crystallized in the conformationally restricting closed crystal form whereas the derivative with the highest residual mobility in the series escaped our attempts to crystallize it in the closed form; instead, a well-resolved structure could only be achieved in the open form with the ligand in disordered orientation. These distinct binding modes are supported by molecular dynamics simulations and correlate with the shifting enthalpic/entropic signatures of ligand binding. The examples demonstrate that, at the molecular level, binding modes and thermodynamic binding signatures can be very different even for closely related ligands. However, deviating binding profiles provide the opportunity to optimally address a given target.

-	~~==About this Structure==~~	+	Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties.,Brandt T, Holzmann N, Muley L, Khayat M, Wegscheid-Gerlach C, Baum B, Heine A, Hangauer D, Klebe G J Mol Biol. 2010 Nov 25. PMID:21111747<ref>PMID:21111747</ref>
-	~~[[2zq1]] is a 1 chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org/wiki/Bos_taurus Bos taurus]~~. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=2ZQ1 OCA].~~	+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

	==See Also==		==See Also==
	*[[Trypsin\|Trypsin]]		*[[Trypsin\|Trypsin]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:021111747</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Trypsin]]		[[Category: Trypsin]]

OCA at 06:10, 22 January 2014

OCA — Wed, 22 Jan 2014 06:10:26 GMT

←Older revision		Revision as of 06:10, 22 January 2014
Line 1:		Line 1:
-	[[Image:2zq1.png\|left\|200px]]
-
	{{STRUCTURE_2zq1\| PDB=2zq1 \| SCENE= }}		{{STRUCTURE_2zq1\| PDB=2zq1 \| SCENE= }}
-
	===Exploring trypsin S3 pocket===		===Exploring trypsin S3 pocket===
-
	{{ABSTRACT_PUBMED_21111747}}		{{ABSTRACT_PUBMED_21111747}}

Line 14:		Line 10:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:021111747</ref><references group="xtra"/>	+	<ref group="xtra">PMID:021111747</ref><references group="xtra"/><references/>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Trypsin]]		[[Category: Trypsin]]

OCA at 05:18, 20 October 2012

OCA — Sat, 20 Oct 2012 05:18:48 GMT

←Older revision		Revision as of 05:18, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2zq1]] is a 1 chain structure ~~of [[Trypsin]]~~ with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA].	+	[[2zq1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZQ1 OCA].

	==See Also==		==See Also==

OCA: Protected "2zq1" [edit=sysop:move=sysop]

OCA — Wed, 25 Jul 2012 09:38:18 GMT

Protected "2zq1" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:38, 25 July 2012