2c1e - Revision history

OCA at 08:18, 15 November 2023

OCA — Wed, 15 Nov 2023 08:18:08 GMT

←Older revision		Revision as of 08:18, 15 November 2023
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	<StructureSection load='2c1e' size='340' side='right'caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>		<StructureSection load='2c1e' size='340' side='right'caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2c1e]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2C1E FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2c1e]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2C1E FirstGlance]. <br>
-	</td></tr><tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=AA1:~~[1~~-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</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]] 1.77Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;~~'>~~[[1cp3\|1cp3]]~~, [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [https://pdbe.org/2c1e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [https://www.ebi.ac.uk/pdbsum/2c1e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2c1e 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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [https://pdbe.org/2c1e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [https://www.ebi.ac.uk/pdbsum/2c1e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2c1e ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/CASP3_HUMAN CASP3_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. At the onset of apoptosis it proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Cleaves and activates sterol regulatory element binding proteins (SREBPs) between the basic helix-loop-helix leucine zipper domain and the membrane attachment domain. Cleaves and activates caspase-6, -7 and -9. Involved in the cleavage of huntingtin. Triggers cell adhesion in sympathetic neurons through RET cleavage.<ref>PMID:7596430</ref> <ref>PMID:21357690</ref>	+	[https://www.uniprot.org/uniprot/CASP3_HUMAN CASP3_HUMAN] Involved in the activation cascade of caspases responsible for apoptosis execution. At the onset of apoptosis it proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Cleaves and activates sterol regulatory element binding proteins (SREBPs) between the basic helix-loop-helix leucine zipper domain and the membrane attachment domain. Cleaves and activates caspase-6, -7 and -9. Involved in the cleavage of huntingtin. Triggers cell adhesion in sympathetic neurons through RET cleavage.<ref>PMID:7596430</ref> <ref>PMID:21357690</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Grutter, M G~~]]	+	[[Category: Synthetic construct]]
-	[[Category: ~~Apoptosis]]~~	+	[[Category: Grutter MG]]
-	~~[[Category: Aza-asp]]~~	+
-	~~[[Category: Aza-peptide]]~~	+
-	~~[[Category: Clan cd]]~~	+
-	~~[[Category: Cpp32]]~~	+
-	~~[[Category: Cysteine-protease]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Michael acceptor]]~~	+
-	~~[[Category: Thiol protease]]~~	+
-	~~[[Category: Yama]]~~	+
-	~~[[Category: Zymogen~~]]	+

OCA at 10:00, 12 May 2021

OCA — Wed, 12 May 2021 10:00:58 GMT

←Older revision		Revision as of 10:00, 12 May 2021
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	<StructureSection load='2c1e' size='340' side='right'caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>		<StructureSection load='2c1e' size='340' side='right'caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2c1e]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1E OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2C1E FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2c1e]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2C1E FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</div></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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [~~http~~://pdbe.org/2c1e PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2c1e PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2c1e 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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [https://pdbe.org/2c1e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [https://www.ebi.ac.uk/pdbsum/2c1e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2c1e ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CASP3_HUMAN CASP3_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. At the onset of apoptosis it proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Cleaves and activates sterol regulatory element binding proteins (SREBPs) between the basic helix-loop-helix leucine zipper domain and the membrane attachment domain. Cleaves and activates caspase-6, -7 and -9. Involved in the cleavage of huntingtin. Triggers cell adhesion in sympathetic neurons through RET cleavage.<ref>PMID:7596430</ref> <ref>PMID:21357690</ref>	+	[[https://www.uniprot.org/uniprot/CASP3_HUMAN CASP3_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. At the onset of apoptosis it proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Cleaves and activates sterol regulatory element binding proteins (SREBPs) between the basic helix-loop-helix leucine zipper domain and the membrane attachment domain. Cleaves and activates caspase-6, -7 and -9. Involved in the cleavage of huntingtin. Triggers cell adhesion in sympathetic neurons through RET cleavage.<ref>PMID:7596430</ref> <ref>PMID:21357690</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 07:16, 7 August 2019

OCA — Wed, 07 Aug 2019 07:16:18 GMT

←Older revision		Revision as of 07:16, 7 August 2019
Line 1:		Line 1:

	==Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.==		==Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.==
-	<StructureSection load='2c1e' size='340' side='right' caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>	+	<StructureSection load='2c1e' size='340' side='right'caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2c1e]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>		<table><tr><td colspan='2'>[[2c1e]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>
Line 14:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/c1/2c1e_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/c1/2c1e_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>
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	</div>		</div>
	<div class="pdbe-citations 2c1e" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2c1e" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Caspase 3D structures\|Caspase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Grutter, M G]]		[[Category: Grutter, M G]]
	[[Category: Apoptosis]]		[[Category: Apoptosis]]

OCA at 11:52, 6 November 2017

OCA — Mon, 06 Nov 2017 11:52:07 GMT

←Older revision		Revision as of 11:52, 6 November 2017
Line 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 2c1e" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2c1e" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Caspase\|Caspase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:26, 18 January 2017

OCA — Wed, 18 Jan 2017 08:26:11 GMT

←Older revision		Revision as of 08:26, 18 January 2017
Line 1:		Line 1:
		+
	==Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.==		==Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.==
	<StructureSection load='2c1e' size='340' side='right' caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>		<StructureSection load='2c1e' size='340' side='right' caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2c1e]] is a 3 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=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2c1e]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [http://pdbe.org/2c1e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [http://www.ebi.ac.uk/pdbsum/2c1e 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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [http://pdbe.org/2c1e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [http://www.ebi.ac.uk/pdbsum/2c1e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2c1e ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Human]]
	[[Category: Grutter, M G]]		[[Category: Grutter, M G]]
	[[Category: Apoptosis]]		[[Category: Apoptosis]]

OCA at 03:29, 9 February 2016

OCA — Tue, 09 Feb 2016 03:29:17 GMT

←Older revision		Revision as of 03:29, 9 February 2016
Line 17:		Line 17:
	<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=2c1e ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 18:10, 10 September 2015

OCA — Thu, 10 Sep 2015 18:10:54 GMT

←Older revision		Revision as of 18:10, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='2c1e' size='340' side='right' caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>		<StructureSection load='2c1e' size='340' side='right' caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2c1e]] is a 3 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=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2c1e]] is a 3 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=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>		</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [http://www.ebi.ac.uk/pdbsum/2c1e 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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [http://pdbe.org/2c1e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [http://www.ebi.ac.uk/pdbsum/2c1e PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 27:		Line 27:
	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 2c1e" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 34:		Line 35:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Grutter, M G]]		[[Category: Grutter, M G]]
	[[Category: Apoptosis]]		[[Category: Apoptosis]]

OCA at 04:06, 25 December 2014

OCA — Thu, 25 Dec 2014 04:06:10 GMT

←Older revision		Revision as of 04:06, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2c1e]] is a 3 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=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>		<table><tr><td colspan='2'>[[2c1e]] is a 3 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=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>	+	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [http://www.ebi.ac.uk/pdbsum/2c1e 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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [http://www.ebi.ac.uk/pdbsum/2c1e PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CASP3_HUMAN CASP3_HUMAN]] Involved in the activation cascade of caspases responsible for apoptosis execution. At the onset of apoptosis it proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-\|-Gly-217' bond. Cleaves and activates sterol regulatory element binding proteins (SREBPs) between the basic helix-loop-helix leucine zipper domain and the membrane attachment domain. Cleaves and activates caspase-6, -7 and -9. Involved in the cleavage of huntingtin. Triggers cell adhesion in sympathetic neurons through RET cleavage.<ref>PMID:7596430</ref> <ref>PMID:21357690</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Grutter, M G.]]	+	[[Category: Grutter, M G]]
	[[Category: Apoptosis]]		[[Category: Apoptosis]]
	[[Category: Aza-asp]]		[[Category: Aza-asp]]

OCA at 03:45, 29 September 2014

OCA — Mon, 29 Sep 2014 03:45:54 GMT

←Older revision		Revision as of 03:45, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2c1e.~~png~~\|~~left~~\|200px]]	+	==Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.==
		+	<StructureSection load='2c1e' size='340' side='right' caption='[[2c1e]], [[Resolution\|resolution]] 1.77Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2c1e]] is a 3 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=2C1E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1E FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=AA1:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC+ACID'>AA1</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1cp3\|1cp3]], [[1gfw\|1gfw]], [[1i3o\|1i3o]], [[1nme\|1nme]], [[1nmq\|1nmq]], [[1nms\|1nms]], [[1pau\|1pau]], [[1qx3\|1qx3]], [[1re1\|1re1]], [[1rhj\|1rhj]], [[1rhk\|1rhk]], [[1rhm\|1rhm]], [[1rhq\|1rhq]], [[1rhr\|1rhr]], [[1rhu\|1rhu]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]], [[2cdr\|2cdr]], [[2cjx\|2cjx]], [[2cjy\|2cjy]], [[2cnk\|2cnk]], [[2cnl\|2cnl]], [[2cnn\|2cnn]], [[2cno\|2cno]], [[2j30\|2j30]], [[2j31\|2j31]], [[2j32\|2j32]], [[2j33\|2j33]]</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=2c1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1e OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2c1e RCSB], [http://www.ebi.ac.uk/pdbsum/2c1e 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/c1/2c1e_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 ==
		+	Aza-peptide Michael acceptors are a novel class of inhibitors that are potent and specific for caspases-2, -3, -6, -7, -8, -9, and -10. The second-order rate constants are in the order of 10(6) M(-1) s(-1). The aza-peptide Michael acceptor inhibitor 18t (Cbz-Asp-Glu-Val-AAsp-trans-CH=CH-CON(CH(2)-1-Naphth)(2) is the most potent compound and it inhibits caspase-3 with a k(2) value of 5620000 M(-1) s(-1). The inhibitor 18t is 13700, 190, 6.4, 594, 37500, and 173-fold more selective for caspase-3 over caspases-2, -6, -7, -8, -9, and -10, respectively. Aza-peptide Michael acceptors designed with caspase specific sequences are selective and do not show any cross reactivity with clan CA cysteine proteases such as papain, cathepsin B, and calpains. High-resolution crystal structures of caspase-3 and caspase-8 in complex with aza-peptide Michael acceptor inhibitors demonstrate the nucleophilic attack on C2 and provide insight into the selectivity and potency of the inhibitors with respect to the P1' moiety.

-	~~{{STRUCTURE_2c1e\| PDB=2c1e \| SCENE= }}~~	+	Design, synthesis, and evaluation of aza-peptide Michael acceptors as selective and potent inhibitors of caspases-2, -3, -6, -7, -8, -9, and -10.,Ekici OD, Li ZZ, Campbell AJ, James KE, Asgian JL, Mikolajczyk J, Salvesen GS, Ganesan R, Jelakovic S, Grutter MG, Powers JC J Med Chem. 2006 Sep 21;49(19):5728-49. PMID:16970398<ref>PMID:16970398</ref>

-	~~===Crystal structures~~ of ~~caspase-3 in complex with aza-peptide Michael acceptor inhibitors~~.~~===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_16970398}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2c1e]] is a 3 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=2C1E OCA].~~	+

	==See Also==		==See Also==
	*[[Caspase\|Caspase]]		*[[Caspase\|Caspase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:016970398<~~/~~ref~~><~~ref group="xtra">PMID:019465933</ref><references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Grutter, M G.]]		[[Category: Grutter, M G.]]

OCA at 12:29, 20 October 2012

OCA — Sat, 20 Oct 2012 12:29:14 GMT

←Older revision		Revision as of 12:29, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2c1e]] is a 3 chain structure ~~of [[Caspase]]~~ 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=2C1E OCA].	+	[[2c1e]] is a 3 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=2C1E OCA].

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