1ghz - Revision history

OCA at 23:32, 27 December 2023

2023-12-27T23:32:23Z

←Older revision		Revision as of 23:32, 27 December 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=120:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>120</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 1.39Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1c5r\|1c5r]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=120:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>120</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [https://pdbe.org/1ghz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [https://www.ebi.ac.uk/pdbsum/1ghz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ghz 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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [https://pdbe.org/1ghz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [https://www.ebi.ac.uk/pdbsum/1ghz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ghz 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]]
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	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Trypsin]]~~	+	[[Category: Elrod K]]
-	[[Category: Elrod, K]]	+	[[Category: Hatayte J]]
-	[[Category: Hatayte, J]]	+	[[Category: Janc J]]
-	[[Category: Janc, J]]	+	[[Category: Katz BA]]
-	[[Category: Katz~~, B A~~]]	+	[[Category: Link J]]
-	[[Category: Link, J]]	+	[[Category: Litvak J]]
-	[[Category: Litvak, J]]	+	[[Category: Luong C]]
-	[[Category: Luong, C]]	+	[[Category: Mackman RL]]
-	[[Category: Mackman~~, R L~~]]	+	[[Category: Rai R]]
-	[[Category: Rai, R]]	+	[[Category: Rice K]]
-	[[Category: Rice, K]]	+	[[Category: Rice M]]
-	[[Category: Rice, M]]	+	[[Category: Sideris S]]
-	[[Category: Sideris, S]]	+	[[Category: Spencer J]]
-	[[Category: Spencer, J]]	+	[[Category: Sprengeler PA]]
-	[[Category: Sprengeler~~, P A~~]]	+	[[Category: Verner E]]
-	[[Category: Verner, E]]	+	[[Category: Young W]]
-	[[Category: Young, W]]	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Oxyanion hole water]]~~	+
-	~~[[Category: Shift of pka of his57]]~~	+
-	~~[[Category: Specificity]]~~	+
-	~~[[Category: Structure-based drug design]]~~	+
-	~~[[Category: Three-centered]]~~	+
-	~~[[Category: Thrombin]]~~	+
-	~~[[Category: Urokinase]]~~	+
-	~~[[Category: Very short hydrogen bond]]~~	+
-	~~[[Category: Zn+2-mediated inhibition~~]]	+

OCA at 11:23, 28 July 2021

2021-07-28T11:23:42Z

←Older revision		Revision as of 11:23, 28 July 2021
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	<StructureSection load='1ghz' size='340' side='right'caption='[[1ghz]], [[Resolution\|resolution]] 1.39Å' scene=''>		<StructureSection load='1ghz' size='340' side='right'caption='[[1ghz]], [[Resolution\|resolution]] 1.39Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=120:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>120</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=120:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>120</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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">[[1c5r\|1c5r]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1c5r\|1c5r]]</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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [~~http~~://pdbe.org/1ghz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1ghz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1ghz 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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [https://pdbe.org/1ghz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [https://www.ebi.ac.uk/pdbsum/1ghz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ghz 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 09:05, 23 October 2019

2019-10-23T09:05:04Z

←Older revision		Revision as of 09:05, 23 October 2019
Line 1:		Line 1:

	==A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE==		==A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE==
-	<StructureSection load='1ghz' size='340' side='right' caption='[[1ghz]], [[Resolution\|resolution]] 1.39Å' scene=''>	+	<StructureSection load='1ghz' size='340' side='right'caption='[[1ghz]], [[Resolution\|resolution]] 1.39Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>
Line 28:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 1ghz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1ghz" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Trypsin\|Trypsin]]
	== References ==		== References ==
	<references/>		<references/>
Line 33:		Line 36:
	</StructureSection>		</StructureSection>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
		+	[[Category: Large Structures]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
	[[Category: Elrod, K]]		[[Category: Elrod, K]]

OCA at 06:44, 3 January 2018

2018-01-03T06:44:33Z

←Older revision		Revision as of 06:44, 3 January 2018
Line 1:		Line 1:
		+
	==A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE==		==A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE==
	<StructureSection load='1ghz' size='340' side='right' caption='[[1ghz]], [[Resolution\|resolution]] 1.39Å' scene=''>		<StructureSection load='1ghz' size='340' side='right' caption='[[1ghz]], [[Resolution\|resolution]] 1.39Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c5r\|1c5r]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c5r\|1c5r]]</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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [http://pdbe.org/1ghz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [http://www.ebi.ac.uk/pdbsum/1ghz 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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [http://pdbe.org/1ghz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [http://www.ebi.ac.uk/pdbsum/1ghz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1ghz ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gh/1ghz_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gh/1ghz_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 27:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 1ghz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1ghz" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Trypsin\|Trypsin]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 01:38, 9 February 2016

2016-02-09T01:38:35Z

←Older revision		Revision as of 01:38, 9 February 2016
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=1ghz ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 17:21, 10 September 2015

2015-09-10T17:21:17Z

←Older revision		Revision as of 17:21, 10 September 2015
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c5r\|1c5r]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c5r\|1c5r]]</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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [http://www.ebi.ac.uk/pdbsum/1ghz 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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [http://pdbe.org/1ghz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [http://www.ebi.ac.uk/pdbsum/1ghz PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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 1ghz" style="background-color:#fffaf0;"></div>

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

OCA at 19:47, 22 December 2014

2014-12-22T19:47:53Z

←Older revision		Revision as of 19:47, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=120:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>120</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=120:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>120</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c5r\|1c5r]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c5r\|1c5r]]</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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [http://www.ebi.ac.uk/pdbsum/1ghz 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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [http://www.ebi.ac.uk/pdbsum/1ghz 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: Elrod, K.]]	+	[[Category: Elrod, K]]
-	[[Category: Hatayte, J.]]	+	[[Category: Hatayte, J]]
-	[[Category: Janc, J.]]	+	[[Category: Janc, J]]
-	[[Category: Katz, B A.]]	+	[[Category: Katz, B A]]
-	[[Category: Link, J.]]	+	[[Category: Link, J]]
-	[[Category: Litvak, J.]]	+	[[Category: Litvak, J]]
-	[[Category: Luong, C.]]	+	[[Category: Luong, C]]
-	[[Category: Mackman, R L.]]	+	[[Category: Mackman, R L]]
-	[[Category: Rai, R.]]	+	[[Category: Rai, R]]
-	[[Category: Rice, K.]]	+	[[Category: Rice, K]]
-	[[Category: Rice, M.]]	+	[[Category: Rice, M]]
-	[[Category: Sideris, S.]]	+	[[Category: Sideris, S]]
-	[[Category: Spencer, J.]]	+	[[Category: Spencer, J]]
-	[[Category: Sprengeler, P A.]]	+	[[Category: Sprengeler, P A]]
-	[[Category: Verner, E.]]	+	[[Category: Verner, E]]
-	[[Category: Young, W.]]	+	[[Category: Young, W]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Oxyanion hole water]]		[[Category: Oxyanion hole water]]
Line 58:		Line 58:
	[[Category: Three-centered]]		[[Category: Three-centered]]
	[[Category: Thrombin]]		[[Category: Thrombin]]
-	[[Category: Trypsin]]
	[[Category: Urokinase]]		[[Category: Urokinase]]
	[[Category: Very short hydrogen bond]]		[[Category: Very short hydrogen bond]]
	[[Category: Zn+2-mediated inhibition]]		[[Category: Zn+2-mediated inhibition]]

OCA at 09:40, 28 September 2014

2014-09-28T09:40:02Z

←Older revision		Revision as of 09:40, 28 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1ghz.~~png~~\|~~left~~\|200px]]	+	==A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE==
		+	<StructureSection load='1ghz' size='340' side='right' caption='[[1ghz]], [[Resolution\|resolution]] 1.39Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1ghz]] 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=1GHZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1GHZ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=120:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE'>120</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c5r\|1c5r]]</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=1ghz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ghz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ghz RCSB], [http://www.ebi.ac.uk/pdbsum/1ghz 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/gh/1ghz_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 ==
		+	We describe a new serine protease inhibition motif in which binding is mediated by a cluster of very short hydrogen bonds (<2.3 A) at the active site. This protease-inhibitor binding paradigm is observed at high resolution in a large set of crystal structures of trypsin, thrombin, and urokinase-type plasminogen activator (uPA) bound with a series of small molecule inhibitors (2-(2-phenol)indoles and 2-(2-phenol)benzimidazoles). In each complex there are eight enzyme-inhibitor or enzyme-water-inhibitor hydrogen bonds at the active site, three of which are very short. These short hydrogen bonds connect a triangle of oxygen atoms comprising O(gamma)(Ser195), a water molecule co-bound in the oxyanion hole (H(2)O(oxy)), and the phenolate oxygen atom of the inhibitor (O6'). Two of the other hydrogen bonds between the inhibitor and active site of the trypsin and uPA complexes become short in the thrombin counterparts, extending the three-centered short hydrogen-bonding array into a tetrahedral array of atoms (three oxygen and one nitrogen) involved in short hydrogen bonds. In the uPA complexes, the extensive hydrogen-bonding interactions at the active site prevent the inhibitor S1 amidine from forming direct hydrogen bonds with Asp189 because the S1 site is deeper in uPA than in trypsin or thrombin.Ionization equilibria at the active site associated with inhibitor binding are probed through determination and comparison of structures over a wide range of pH (3.5 to 11.4) of thrombin complexes and of trypsin complexes in three different crystal forms. The high-pH trypsin-inhibitor structures suggest that His57 is protonated at pH values as high as 9.5. The pH-dependent inhibition of trypsin, thrombin, uPA and factor Xa by 2-(2-phenol)benzimidazole analogs in which the pK(a) of the phenol group is modulated is shown to be consistent with a binding process involving ionization of both the inhibitor and the enzyme. These data further suggest that the pK(a) of His57 of each protease in the unbound state in solution is about the same, approximately 6.8. By comparing inhibition constants (K(i) values), inhibitor solubilities, inhibitor conformational energies and corresponding structures of short and normal hydrogen bond-mediated complexes, we have estimated the contribution of the short hydrogen bond networks to inhibitor affinity ( approximately 1.7 kcal/mol). The structures and K(i) values associated with the short hydrogen-bonding motif are compared with those corresponding to an alternate, Zn(2+)-mediated inhibition motif at the active site. Structural differences among apo-enzymes, enzyme-inhibitor and enzyme-inhibitor-Zn(2+) complexes are discussed in the context of affinity determinants, selectivity development, and structure-based inhibitor design.

-	~~{{STRUCTURE_1ghz\| PDB=1ghz \| SCENE= }}~~	+	A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.,Katz BA, Elrod K, Luong C, Rice MJ, Mackman RL, Sprengeler PA, Spencer J, Hataye J, Janc J, Link J, Litvak J, Rai R, Rice K, Sideris S, Verner E, Young W J Mol Biol. 2001 Apr 13;307(5):1451-86. PMID:11292354<ref>PMID:11292354</ref>

-	~~===A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_11292354}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1ghz]] 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=1GHZ OCA].~~	+

	==See Also==		==See Also==
	*[[Trypsin\|Trypsin]]		*[[Trypsin\|Trypsin]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:011292354<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Trypsin]]		[[Category: Trypsin]]

OCA at 12:11, 20 October 2012

2012-10-20T12:11:39Z

←Older revision		Revision as of 12:11, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1ghz]] 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=1GHZ OCA].	+	[[1ghz]] 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=1GHZ OCA].

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

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

2012-07-26T07:55:07Z

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

←Older revision

Revision as of 07:55, 26 July 2012