1tnj - Revision history

OCA at 08:42, 1 May 2024

OCA — Wed, 01 May 2024 08:42:42 GMT

←Older revision		Revision as of 08:42, 1 May 2024
Line 3:		Line 3:
	<StructureSection load='1tnj' size='340' side='right'caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='1tnj' size='340' side='right'caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>~~, ~~<scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</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]] 1.8Å</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [https://pdbe.org/1tnj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [https://www.ebi.ac.uk/pdbsum/1tnj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1tnj 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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [https://pdbe.org/1tnj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [https://www.ebi.ac.uk/pdbsum/1tnj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1tnj 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 18:		Line 20:
	</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=1tnj 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=1tnj ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	We describe here the use of a rapid computational method to predict the relative binding strengths of a series of small-molecule ligands for the serine proteinase trypsin. Flexible molecular models of the ligands were docked to the proteinase using an all-atom potential set, without cutoff limits for the non-bonded and electrostatic energies. The binding-strength calculation is done directly in terms of a molecular mechanics potential. The binding of eighteen different compounds, including non-binding controls, has been successfully predicted. The measured Ki is correlated with the predicted energy. The correctness of the theoretical calculations is demonstrated with both kinetics measurements and X-ray structure determination of six enzyme-inhibitor complexes.
-
-	Prediction of new serine proteinase inhibitors.,Kurinov IV, Harrison RW Nat Struct Biol. 1994 Oct;1(10):735-43. PMID:7634078<ref>PMID:7634078</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1tnj" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Trypsin 3D structures\|Trypsin 3D structures]]		*[[Trypsin 3D structures\|Trypsin 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bovin~~]]	+	[[Category: Bos taurus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Trypsin]]~~	+	[[Category: Harrison RW]]
-	[[Category: Harrison~~, R W~~]]	+	[[Category: Kurinov I]]
-	[[Category: Kurinov, I]]	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor - phenylethylamine]]~~	+
-	~~[[Category: Serine proteinase~~]]	+

OCA at 09:30, 29 September 2021

OCA — Wed, 29 Sep 2021 09:30:06 GMT

←Older revision		Revision as of 09:30, 29 September 2021
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	<StructureSection load='1tnj' size='340' side='right'caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='1tnj' size='340' side='right'caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene></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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [~~http~~://pdbe.org/1tnj PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1tnj PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1tnj 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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [https://pdbe.org/1tnj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [https://www.ebi.ac.uk/pdbsum/1tnj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1tnj ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 29:		Line 29:

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

OCA at 13:56, 25 December 2019

OCA — Wed, 25 Dec 2019 13:56:07 GMT

←Older revision		Revision as of 13:56, 25 December 2019
Line 1:		Line 1:

	==PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS==		==PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS==
-	<StructureSection load='1tnj' size='340' side='right' caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>	+	<StructureSection load='1tnj' size='340' side='right'caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>
Line 35:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Bovin]]		[[Category: Bovin]]
		+	[[Category: Large Structures]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
	[[Category: Harrison, R W]]		[[Category: Harrison, R W]]

OCA at 08:45, 21 March 2018

OCA — Wed, 21 Mar 2018 08:45:31 GMT

←Older revision		Revision as of 08:45, 21 March 2018
Line 1:		Line 1:
		+
	==PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS==		==PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS==
	<StructureSection load='1tnj' size='340' side='right' caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='1tnj' size='340' side='right' caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene></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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [http://pdbe.org/1tnj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [http://www.ebi.ac.uk/pdbsum/1tnj 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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [http://pdbe.org/1tnj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [http://www.ebi.ac.uk/pdbsum/1tnj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1tnj 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/tn/1tnj_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/tn/1tnj_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>
	</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=1tnj ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 08:35, 11 September 2015

OCA — Fri, 11 Sep 2015 08:35:21 GMT

←Older revision		Revision as of 08:35, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='1tnj' size='340' side='right' caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='1tnj' size='340' side='right' caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene></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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [http://www.ebi.ac.uk/pdbsum/1tnj 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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [http://pdbe.org/1tnj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [http://www.ebi.ac.uk/pdbsum/1tnj PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 25:		Line 25:
	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 1tnj" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 32:		Line 33:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bos taurus~~]]	+	[[Category: Bovin]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
	[[Category: Harrison, R W]]		[[Category: Harrison, R W]]

OCA at 13:43, 6 January 2015

OCA — Tue, 06 Jan 2015 13:43:50 GMT

←Older revision		Revision as of 13:43, 6 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene></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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [http://www.ebi.ac.uk/pdbsum/1tnj 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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [http://www.ebi.ac.uk/pdbsum/1tnj 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 34:		Line 34:
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
-	[[Category: Harrison, R W.]]	+	[[Category: Harrison, R W]]
-	[[Category: Kurinov, I.]]	+	[[Category: Kurinov, I]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Inhibitor - phenylethylamine]]		[[Category: Inhibitor - phenylethylamine]]
	[[Category: Serine proteinase]]		[[Category: Serine proteinase]]
-	[[Category: Trypsin]]

OCA at 22:54, 28 September 2014

OCA — Sun, 28 Sep 2014 22:54:57 GMT

←Older revision		Revision as of 22:54, 28 September 2014
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-	[[~~Image~~:1tnj.~~png\|left~~\|200px]]	+	==PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS==
		+	<StructureSection load='1tnj' size='340' side='right' caption='[[1tnj]], [[Resolution\|resolution]] 1.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1tnj]] 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=1TNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TNJ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PEA:2-PHENYLETHYLAMINE'>PEA</scene><br>
		+	<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=1tnj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tnj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1tnj RCSB], [http://www.ebi.ac.uk/pdbsum/1tnj 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/tn/1tnj_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 here the use of a rapid computational method to predict the relative binding strengths of a series of small-molecule ligands for the serine proteinase trypsin. Flexible molecular models of the ligands were docked to the proteinase using an all-atom potential set, without cutoff limits for the non-bonded and electrostatic energies. The binding-strength calculation is done directly in terms of a molecular mechanics potential. The binding of eighteen different compounds, including non-binding controls, has been successfully predicted. The measured Ki is correlated with the predicted energy. The correctness of the theoretical calculations is demonstrated with both kinetics measurements and X-ray structure determination of six enzyme-inhibitor complexes.

-	~~{{STRUCTURE_1tnj\| PDB=1tnj \| SCENE= }}~~	+	Prediction of new serine proteinase inhibitors.,Kurinov IV, Harrison RW Nat Struct Biol. 1994 Oct;1(10):735-43. PMID:7634078<ref>PMID:7634078</ref>

-	~~===PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_7634078}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1tnj]] 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=1TNJ OCA].~~	+

	==See Also==		==See Also==
	*[[Trypsin\|Trypsin]]		*[[Trypsin\|Trypsin]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:007634078<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Trypsin]]		[[Category: Trypsin]]

OCA at 17:31, 20 October 2012

OCA — Sat, 20 Oct 2012 17:31:19 GMT

←Older revision		Revision as of 17:31, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1tnj]] 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=1TNJ OCA].	+	[[1tnj]] 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=1TNJ OCA].

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

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

OCA — Fri, 27 Jul 2012 01:09:38 GMT

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

←Older revision

Revision as of 01:09, 27 July 2012

OCA at 01:09, 27 July 2012

OCA — Fri, 27 Jul 2012 01:09:37 GMT

←Older revision		Revision as of 01:09, 27 July 2012
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-	{{Seed}}
	[[Image:1tnj.png\|left\|200px]]		[[Image:1tnj.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1tnj", 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.
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	{{STRUCTURE_1tnj\| PDB=1tnj \| SCENE= }}		{{STRUCTURE_1tnj\| PDB=1tnj \| SCENE= }}

	===PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS===		===PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_7634078}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 7634078 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_7634078}}		{{ABSTRACT_PUBMED_7634078}}

	==About this Structure==		==About this Structure==
-	~~1TNJ~~ is a 1 chain structure of 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=1TNJ OCA].	+	[[1tnj]] 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=1TNJ OCA].
		+
		+	==See Also==
		+	*[[Trypsin\|Trypsin]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~7634078~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:007634078</ref><references group="xtra"/>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Trypsin]]		[[Category: Trypsin]]
	[[Category: Harrison, R W.]]		[[Category: Harrison, R W.]]
	[[Category: Kurinov, I.]]		[[Category: Kurinov, I.]]
-		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
-	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Tue Feb 17 18~~:01:~~58 2009''~~	+	[[Category: Inhibitor - phenylethylamine]]
		+	[[Category: Serine proteinase]]
		+	[[Category: Trypsin]]