2cdr - Revision history

OCA at 08:19, 15 November 2023

2023-11-15T08:19:23Z

←Older revision		Revision as of 08:19, 15 November 2023
Line 3:		Line 3:
	<StructureSection load='2cdr' size='340' side='right'caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='2cdr' size='340' side='right'caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2cdr]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2CDR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2cdr]] is a 3 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=2CDR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2CDR FirstGlance]. <br>
-	</td></tr><tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=MY1:~~[~~N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO~~]~~-ACETIC+ACID'>MY1</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]] 1.7Å</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [https://pdbe.org/2cdr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [https://www.ebi.ac.uk/pdbsum/2cdr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2cdr 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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [https://pdbe.org/2cdr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [https://www.ebi.ac.uk/pdbsum/2cdr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2cdr 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: Asgian~~, J L~~]]	+	[[Category: Asgian JL]]
-	[[Category: Campbell~~, A J~~]]	+	[[Category: Campbell AJ]]
-	[[Category: Ganesan, R]]	+	[[Category: Ganesan R]]
-	[[Category: Gruetter~~, M G~~]]	+	[[Category: Gruetter MG]]
-	[[Category: Jelakovic, S]]	+	[[Category: Jelakovic S]]
-	[[Category: Li~~, Z Z~~]]	+	[[Category: Li ZZ]]
-	[[Category: Powers~~, J C]]~~	+	[[Category: Powers JC]]
-	~~[[Category: Apoptosis]]~~	+
-	~~[[Category: Aza-asp]]~~	+
-	~~[[Category: Aza-peptide]]~~	+
-	~~[[Category: Clan cd]]~~	+
-	~~[[Category: Cpp32]]~~	+
-	~~[[Category: Cysteine-protease]]~~	+
-	~~[[Category: Epoxide]]~~	+
-	~~[[Category: Epoxysuccinyl]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Ice]]~~	+
-	~~[[Category: Protease-inhibitor complex]]~~	+
-	~~[[Category: Tetramer]]~~	+
-	~~[[Category: Thiol protease]]~~	+
-	~~[[Category: Yama]]~~	+
-	~~[[Category: Zymogen~~]]	+

OCA at 10:01, 12 May 2021

2021-05-12T10:01:33Z

←Older revision		Revision as of 10:01, 12 May 2021
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	<StructureSection load='2cdr' size='340' side='right'caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='2cdr' size='340' side='right'caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2cdr]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2CDR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2cdr]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2CDR FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [~~http~~://pdbe.org/2cdr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2cdr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2cdr 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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [https://pdbe.org/2cdr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [https://www.ebi.ac.uk/pdbsum/2cdr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2cdr 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 06:42, 7 August 2019

2019-08-07T06:42:51Z

←Older revision		Revision as of 06:42, 7 August 2019
Line 1:		Line 1:

	==Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.==		==Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.==
-	<StructureSection load='2cdr' size='340' side='right' caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='2cdr' size='340' side='right'caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2cdr]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>		<table><tr><td colspan='2'>[[2cdr]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR 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/cd/2cdr_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cd/2cdr_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 2cdr" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2cdr" 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: Asgian, J L]]		[[Category: Asgian, J L]]
	[[Category: Campbell, A J]]		[[Category: Campbell, A J]]

OCA at 11:54, 6 November 2017

2017-11-06T11:54:01Z

←Older revision		Revision as of 11:54, 6 November 2017
Line 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 2cdr" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2cdr" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Caspase\|Caspase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:24, 3 August 2017

2017-08-03T08:24:43Z

←Older revision		Revision as of 08:24, 3 August 2017
Line 1:		Line 1:
		+
	==Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.==		==Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.==
	<StructureSection load='2cdr' size='340' side='right' caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='2cdr' size='340' side='right' caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2cdr]] 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=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2cdr]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [http://pdbe.org/2cdr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [http://www.ebi.ac.uk/pdbsum/2cdr 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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [http://pdbe.org/2cdr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [http://www.ebi.ac.uk/pdbsum/2cdr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2cdr ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Human]]
	[[Category: Asgian, J L]]		[[Category: Asgian, J L]]
	[[Category: Campbell, A J]]		[[Category: Campbell, A J]]

OCA at 05:36, 8 February 2016

2016-02-08T05:36:12Z

←Older revision		Revision as of 05:36, 8 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=2cdr ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 08:24, 10 September 2015

2015-09-10T08:24:57Z

←Older revision		Revision as of 08:24, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='2cdr' size='340' side='right' caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='2cdr' size='340' side='right' caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2cdr]] 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=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2cdr]] 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=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>
	</td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [http://www.ebi.ac.uk/pdbsum/2cdr 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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [http://pdbe.org/2cdr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [http://www.ebi.ac.uk/pdbsum/2cdr 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 2cdr" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 34:		Line 35:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Asgian, J L]]		[[Category: Asgian, J L]]
	[[Category: Campbell, A J]]		[[Category: Campbell, A J]]

OCA at 21:00, 24 December 2014

2014-12-24T21:00:48Z

←Older revision		Revision as of 21:00, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2cdr]] 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=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>		<table><tr><td colspan='2'>[[2cdr]] 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=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [http://www.ebi.ac.uk/pdbsum/2cdr 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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [http://www.ebi.ac.uk/pdbsum/2cdr 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: Asgian, J L.]]	+	[[Category: Asgian, J L]]
-	[[Category: Campbell, A J.]]	+	[[Category: Campbell, A J]]
-	[[Category: Ganesan, R.]]	+	[[Category: Ganesan, R]]
-	[[Category: Gruetter, M G.]]	+	[[Category: Gruetter, M G]]
-	[[Category: Jelakovic, S.]]	+	[[Category: Jelakovic, S]]
-	[[Category: Li, Z Z.]]	+	[[Category: Li, Z Z]]
-	[[Category: Powers, J C.]]	+	[[Category: Powers, J C]]
	[[Category: Apoptosis]]		[[Category: Apoptosis]]
	[[Category: Aza-asp]]		[[Category: Aza-asp]]

OCA at 05:33, 29 September 2014

2014-09-29T05:33:41Z

←Older revision		Revision as of 05:33, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2cdr.~~png~~\|~~left~~\|200px]]	+	==Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.==
		+	<StructureSection load='2cdr' size='340' side='right' caption='[[2cdr]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2cdr]] 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=2CDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2CDR FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MY1:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC+ACID'>MY1</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]], [[2c1e\|2c1e]], [[2c2k\|2c2k]], [[2c2m\|2c2m]], [[2c2o\|2c2o]]</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=2cdr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2cdr RCSB], [http://www.ebi.ac.uk/pdbsum/2cdr 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/cd/2cdr_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 ==
		+	Caspase-3 is a prototypic executioner caspase that plays a central role in apoptosis. Aza-peptide epoxides are a novel class of irreversible inhibitors that are highly specific for clan CD cysteine proteases. The five crystal structures of caspase-3-aza-peptide epoxide inhibitor complexes reported here reveal the structural basis for the mechanism of inhibition and the specificities at the S1' and the S4 subsites. Unlike the clan CA cysteine proteases, the catalytic histidine in caspase-3 plays a critical role during protonation and subsequent ring opening of the epoxide moiety and facilitates the nucleophilic attack by the active site cysteine. The nucleophilic attack takes place on the C3 carbon atom of the epoxide and results in an irreversible alkylation of the active site cysteine residue. A favorable network of hydrogen bonds involving the oxyanion hole, catalytic histidine, and the atoms in the prime site of the inhibitor enhance the binding affinity and specificity of the aza-peptide epoxide inhibitors toward caspase-3. The studies also reveal that subtle movements of the N-terminal loop of the beta-subunit occur when the P4 Asp is replaced by a P4 Ile, whereas the N-terminal loop and the safety catch Asp179 are completely disordered when the P4 Asp is replaced by P4 Cbz group.

-	~~{{STRUCTURE_2cdr\| PDB=2cdr \| SCENE= }}~~	+	Exploring the S4 and S1 prime subsite specificities in caspase-3 with aza-peptide epoxide inhibitors.,Ganesan R, Jelakovic S, Campbell AJ, Li ZZ, Asgian JL, Powers JC, Grutter MG Biochemistry. 2006 Aug 1;45(30):9059-67. PMID:16866351<ref>PMID:16866351</ref>

-	~~===Crystal structures~~ of ~~caspase-3 in complex with aza-peptide epoxide inhibitors~~.~~===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_16866351}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2cdr]] 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=2CDR OCA].~~	+

	==See Also==		==See Also==
	*[[Caspase\|Caspase]]		*[[Caspase\|Caspase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:016866351<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Asgian, J L.]]		[[Category: Asgian, J L.]]

OCA at 09:05, 20 October 2012

2012-10-20T09:05:26Z

←Older revision		Revision as of 09:05, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2cdr]] 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=2CDR OCA].	+	[[2cdr]] 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=2CDR OCA].

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