2yjc - Revision history

OCA at 14:05, 1 February 2024

OCA — Thu, 01 Feb 2024 14:05:13 GMT

←Older revision		Revision as of 14:05, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='2yjc' size='340' side='right'caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>		<StructureSection load='2yjc' size='340' side='right'caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YJC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YJC FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=424:(2S~~,~~4R)-1-~~[~~1-(4-CHLOROPHENYL)CYCLOPROPYL~~]~~CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[~~1~~-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</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]] 1.14Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>
-	~~<tr~~ id~~='activity'><td class~~="~~sblockLbl~~"><~~b>Activity:</b></td><td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Cathepsin_L Cathepsin L]~~, ~~with EC number~~ [~~https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=3.~~4~~.22.15 3.~~4~~.22.15~~] </~~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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [https://pdbe.org/2yjc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [https://www.ebi.ac.uk/pdbsum/2yjc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yjc 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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [https://pdbe.org/2yjc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [https://www.ebi.ac.uk/pdbsum/2yjc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yjc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/CATL1_HUMAN CATL1_HUMAN]] Important for the overall degradation of proteins in lysosomes.	+	[https://www.uniprot.org/uniprot/CATL1_HUMAN CATL1_HUMAN] Important for the overall degradation of proteins in lysosomes.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Cathepsin L]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Banner~~, D W~~]]	+	[[Category: Banner DW]]
-	[[Category: Benz~~, J M~~]]	+	[[Category: Benz JM]]
-	[[Category: Haap, W]]	+	[[Category: Haap W]]
-	~~[[Category: Drug design]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Thiol protease~~]]	+

OCA at 12:31, 27 April 2022

OCA — Wed, 27 Apr 2022 12:31:19 GMT

←Older revision		Revision as of 12:31, 27 April 2022
Line 3:		Line 3:
	<StructureSection load='2yjc' size='340' side='right'caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>		<StructureSection load='2yjc' size='340' side='right'caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2YJC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YJC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Cathepsin_L Cathepsin L], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.15 3.4.22.15] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Cathepsin_L Cathepsin L], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.15 3.4.22.15] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [~~http~~://pdbe.org/2yjc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2yjc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2yjc 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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [https://pdbe.org/2yjc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [https://www.ebi.ac.uk/pdbsum/2yjc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yjc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CATL1_HUMAN CATL1_HUMAN]] Important for the overall degradation of proteins in lysosomes.	+	[[https://www.uniprot.org/uniprot/CATL1_HUMAN CATL1_HUMAN]] Important for the overall degradation of proteins in lysosomes.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 12:53, 22 July 2020

OCA — Wed, 22 Jul 2020 12:53:58 GMT

←Older revision		Revision as of 12:53, 22 July 2020
Line 1:		Line 1:

	==CATHEPSIN L WITH A NITRILE INHIBITOR==		==CATHEPSIN L WITH A NITRILE INHIBITOR==
-	<StructureSection load='2yjc' size='340' side='right' caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>	+	<StructureSection load='2yjc' size='340' side='right'caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2YJC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2YJC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_L Cathepsin L], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.15 3.4.22.15] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_L Cathepsin L], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.15 3.4.22.15] </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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [http://pdbe.org/2yjc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [http://www.ebi.ac.uk/pdbsum/2yjc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2yjc ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [http://pdbe.org/2yjc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [http://www.ebi.ac.uk/pdbsum/2yjc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2yjc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Cathepsin\|Cathepsin]]	+	*[[Cathepsin 3D structures\|Cathepsin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	[[Category: Cathepsin L]]		[[Category: Cathepsin L]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Banner, D W]]		[[Category: Banner, D W]]
	[[Category: Benz, J M]]		[[Category: Benz, J M]]

OCA at 16:17, 4 August 2016

OCA — Thu, 04 Aug 2016 16:17:46 GMT

←Older revision		Revision as of 16:17, 4 August 2016
Line 1:		Line 1:
		+
	==CATHEPSIN L WITH A NITRILE INHIBITOR==		==CATHEPSIN L WITH A NITRILE INHIBITOR==
	<StructureSection load='2yjc' size='340' side='right' caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>		<StructureSection load='2yjc' size='340' side='right' caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YJC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YJC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_L Cathepsin L], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.15 3.4.22.15] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_L Cathepsin L], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.15 3.4.22.15] </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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [http://www.ebi.ac.uk/pdbsum/2yjc 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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [http://pdbe.org/2yjc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [http://www.ebi.ac.uk/pdbsum/2yjc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2yjc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 2yjc" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Cathepsin L]]		[[Category: Cathepsin L]]
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Banner, D W]]		[[Category: Banner, D W]]
	[[Category: Benz, J M]]		[[Category: Benz, J M]]

OCA at 10:56, 25 December 2014

OCA — Thu, 25 Dec 2014 10:56:13 GMT

←Older revision		Revision as of 10:56, 25 December 2014
Line 2:		Line 2:
	<StructureSection load='2yjc' size='340' side='right' caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>		<StructureSection load='2yjc' size='340' side='right' caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. <br>	+	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YJC FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/~~Glucokinase Glucokinase~~], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.~~2 2~~.7.1.2] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_L Cathepsin L], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.15 3.4.22.15] </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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [http://www.ebi.ac.uk/pdbsum/2yjc 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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [http://www.ebi.ac.uk/pdbsum/2yjc PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CATL1_HUMAN CATL1_HUMAN]] Important for the overall degradation of proteins in lysosomes.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 14:		Line 16:
	Halogen Bonding at the Active Sites of Human Cathepsin L and MEK1 Kinase: Efficient Interactions in Different Environments.,Hardegger LA, Kuhn B, Spinnler B, Anselm L, Ecabert R, Stihle M, Gsell B, Thoma R, Diez J, Benz J, Plancher JM, Hartmann G, Isshiki Y, Morikami K, Shimma N, Haap W, Banner DW, Diederich F ChemMedChem. 2011 Nov 4;6(11):2048-54. doi: 10.1002/cmdc.201100353. Epub, 2011 Sep 6. PMID:21898833<ref>PMID:21898833</ref>		Halogen Bonding at the Active Sites of Human Cathepsin L and MEK1 Kinase: Efficient Interactions in Different Environments.,Hardegger LA, Kuhn B, Spinnler B, Anselm L, Ecabert R, Stihle M, Gsell B, Thoma R, Diez J, Benz J, Plancher JM, Hartmann G, Isshiki Y, Morikami K, Shimma N, Haap W, Banner DW, Diederich F ChemMedChem. 2011 Nov 4;6(11):2048-54. doi: 10.1002/cmdc.201100353. Epub, 2011 Sep 6. PMID:21898833<ref>PMID:21898833</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
		+
		+	==See Also==
		+	*[[Cathepsin\|Cathepsin]]
	== References ==		== References ==
	<references/>		<references/>
Line 22:		Line 27:
	[[Category: Cathepsin L]]		[[Category: Cathepsin L]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Banner, D W.]]	+	[[Category: Banner, D W]]
-	[[Category: Benz, J M.]]	+	[[Category: Benz, J M]]
-	[[Category: Haap, W.]]	+	[[Category: Haap, W]]
	[[Category: Drug design]]		[[Category: Drug design]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Thiol protease]]		[[Category: Thiol protease]]

OCA at 07:42, 14 May 2014

OCA — Wed, 14 May 2014 07:42:22 GMT

←Older revision		Revision as of 07:42, 14 May 2014
Line 1:		Line 1:
-	[[~~Image:~~2yjc.~~png~~\|~~left~~\|~~200px~~]]	+	==CATHEPSIN L WITH A NITRILE INHIBITOR==
		+	<StructureSection load='2yjc' size='340' side='right' caption='[[2yjc]], [[Resolution\|resolution]] 1.14Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=424:(2S,4R)-1-[1-(4-CHLOROPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE'>424</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cjl\|1cjl]], [[1cs8\|1cs8]], [[2xu4\|2xu4]], [[2yj8\|2yj8]], [[2yjb\|2yjb]], [[2vhs\|2vhs]], [[1icf\|1icf]], [[2xu3\|2xu3]], [[1mhw\|1mhw]], [[2xu5\|2xu5]], [[2xu1\|2xu1]], [[2yj2\|2yj2]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </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=2yjc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yjc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2yjc RCSB], [http://www.ebi.ac.uk/pdbsum/2yjc PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	In two series of small-molecule ligands, one inhibiting human cathepsin L (hcatL) and the other MEK1 kinase, biological affinities were found to strongly increase when an aryl ring of the inhibitors is substituted with the larger halogens Cl, Br, and I, but to decrease upon F substitution. X-ray co-crystal structure analyses revealed that the higher halides engage in halogen bonding (XB) with a backbone CO in the S3 pocket of hcatL and in a back pocket of MEK1. While the S3 pocket is located at the surface of the enzyme, which provides a polar environment, the back pocket in MEK1 is deeply buried in the protein and is of pronounced apolar character. This study analyzes environmental effects on XB in protein-ligand complexes. It is hypothesized that energetic gains by XB are predominantly not due to water replacements but originate from direct interactions between the XB donor (C(aryl) X) and the XB acceptor (CO) in the correct geometry. New X-ray co-crystal structures in the same crystal form (space group P2(1) 2(1) 2(1) ) were obtained for aryl chloride, bromide, and iodide ligands bound to hcatL. These high-resolution structures reveal that the backbone CO group of Gly61 in most hcatL co-crystal structures maintains water solvation while engaging in XB. An arylCF(3) -substituted ligand of hcatL with an unexpectedly high affinity was found to adopt the same binding geometry as the aryl halides, with the CF(3) group pointing to the CO group of Gly61 in the S3 pocket. In this case, a repulsive F(2) CFOC contact apparently is energetically overcompensated by other favorable protein-ligand contacts established by the CF(3) group.

-	~~<!--~~	+	Halogen Bonding at the Active Sites of Human Cathepsin L and MEK1 Kinase: Efficient Interactions in Different Environments.,Hardegger LA, Kuhn B, Spinnler B, Anselm L, Ecabert R, Stihle M, Gsell B, Thoma R, Diez J, Benz J, Plancher JM, Hartmann G, Isshiki Y, Morikami K, Shimma N, Haap W, Banner DW, Diederich F ChemMedChem. 2011 Nov 4;6(11):2048-54. doi: 10.1002/cmdc.201100353. Epub, 2011 Sep 6. PMID:21898833<ref>PMID:21898833</ref>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_2yjc"~~, ~~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_2yjc\| PDB=2yjc \| SCENE= }}~~	+

-	~~===CATHEPSIN L WITH A NITRILE INHIBITOR===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph~~, ~~{{ABSTRACT_PUBMED_21898833}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 21898833 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_21898833}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2yjc]] is a 1 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:021898833<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Cathepsin L]]		[[Category: Cathepsin L]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]

OCA at 05:29, 30 November 2011

OCA — Wed, 30 Nov 2011 05:29:04 GMT

←Older revision		Revision as of 05:29, 30 November 2011
Line 1:		Line 1:
-	[[Image:2yjc.~~jpg~~\|left\|200px]]	+	[[Image:2yjc.png\|left\|200px]]

	<!--		<!--

OCA at 19:02, 23 November 2011

OCA — Wed, 23 Nov 2011 19:02:50 GMT

←Older revision		Revision as of 19:02, 23 November 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:2yjc.jpg\|left\|200px]]

-	The ~~entry 2yjc~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_2yjc", 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_2yjc\| PDB=2yjc \| SCENE= }}

-	~~Authors: Banner, D.W., Benz, J.M., Haap, W.~~	+	===CATHEPSIN L WITH A NITRILE INHIBITOR===

-	~~Description~~: ~~CATHEPSIN~~ L ~~WITH A NITRILE INHIBITOR~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21898833}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21898833 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21898833}}
		+
		+	==About this Structure==
		+	[[2yjc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YJC OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021898833</ref><references group="xtra"/>
		+	[[Category: Cathepsin L]]
		+	[[Category: Homo sapiens]]
		+	[[Category: Banner, D W.]]
		+	[[Category: Benz, J M.]]
		+	[[Category: Haap, W.]]
		+	[[Category: Drug design]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Thiol protease]]

OCA at 05:11, 1 June 2011

OCA — Wed, 01 Jun 2011 05:11:13 GMT

←Older revision		Revision as of 05:11, 1 June 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 2yjc is ON HOLD	+	The entry 2yjc is ON HOLD until Paper Publication

	Authors: Banner, D.W., Benz, J.M., Haap, W.		Authors: Banner, D.W., Benz, J.M., Haap, W.

	Description: CATHEPSIN L WITH A NITRILE INHIBITOR		Description: CATHEPSIN L WITH A NITRILE INHIBITOR

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

OCA — Wed, 25 May 2011 04:56:07 GMT

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

←Older revision

Revision as of 04:56, 25 May 2011