2xyg - Revision history

OCA at 14:01, 1 February 2024

OCA — Thu, 01 Feb 2024 14:01:21 GMT

←Older revision		Revision as of 14:01, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='2xyg' size='340' side='right'caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>		<StructureSection load='2xyg' size='340' side='right'caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XYG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XYG FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=TQ8:N~~-[~~(2S)-4-CHLORO-3-OXO-~~1~~-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</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]] 1.54Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[2c2o\|2c2o]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>
-	~~<tr~~ id~~='activity'><td class~~="~~sblockLbl~~"><~~b>Activity:</b></td><td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Caspase~~-3 ~~Caspase~~-3]~~, with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=3.~~4~~.22.56 3.4.22.56]~~ </~~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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [https://pdbe.org/2xyg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [https://www.ebi.ac.uk/pdbsum/2xyg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xyg 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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [https://pdbe.org/2xyg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [https://www.ebi.ac.uk/pdbsum/2xyg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xyg 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>
	<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: ~~Caspase-3]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ganesan, R]]	+	[[Category: Ganesan R]]
-	[[Category: Grutter~~, M G~~]]	+	[[Category: Grutter MG]]
-	[[Category: Jelakovic, S]]	+	[[Category: Jelakovic S]]
-	[[Category: Mittl~~, P R]]~~	+	[[Category: Mittl PR]]
-	~~[[Category: Apoptosis]]~~	+
-	~~[[Category: Docking]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: In silico screening~~]]	+

OCA at 12:19, 27 April 2022

OCA — Wed, 27 Apr 2022 12:19:42 GMT

←Older revision		Revision as of 12:19, 27 April 2022
Line 3:		Line 3:
	<StructureSection load='2xyg' size='340' side='right'caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>		<StructureSection load='2xyg' size='340' side='right'caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2XYG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XYG FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[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;'>[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[2c2o\|2c2o]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Caspase-3 Caspase-3], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.56 3.4.22.56] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Caspase-3 Caspase-3], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.56 3.4.22.56] </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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [~~http~~://pdbe.org/2xyg PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2xyg PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2xyg 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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [https://pdbe.org/2xyg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [https://www.ebi.ac.uk/pdbsum/2xyg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xyg 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>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 12:26, 22 July 2020

OCA — Wed, 22 Jul 2020 12:26:30 GMT

←Older revision		Revision as of 12:26, 22 July 2020
Line 1:		Line 1:

	==Caspase-3:CAS329306==		==Caspase-3:CAS329306==
-	<StructureSection load='2xyg' size='340' side='right' caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>	+	<StructureSection load='2xyg' size='340' side='right'caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2XYG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2XYG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[2c2o\|2c2o]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[2c2o\|2c2o]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-3 Caspase-3], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.56 3.4.22.56] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-3 Caspase-3], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.56 3.4.22.56] </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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [http://pdbe.org/2xyg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [http://www.ebi.ac.uk/pdbsum/2xyg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xyg 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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [http://pdbe.org/2xyg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [http://www.ebi.ac.uk/pdbsum/2xyg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xyg ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Caspase\|Caspase]]	+	*[[Caspase 3D structures\|Caspase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	[[Category: Caspase-3]]		[[Category: Caspase-3]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Ganesan, R]]		[[Category: Ganesan, R]]
	[[Category: Grutter, M G]]		[[Category: Grutter, M G]]

OCA at 09:24, 10 October 2018

OCA — Wed, 10 Oct 2018 09:24:10 GMT

←Older revision		Revision as of 09:24, 10 October 2018
Line 1:		Line 1:

-	==~~CASPASE~~-3:CAS329306==	+	==Caspase-3:CAS329306==
	<StructureSection load='2xyg' size='340' side='right' caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>		<StructureSection load='2xyg' size='340' side='right' caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==

OCA at 21:47, 5 August 2016

OCA — Fri, 05 Aug 2016 21:47:32 GMT

←Older revision		Revision as of 21:47, 5 August 2016
Line 1:		Line 1:
		+
	==CASPASE-3:CAS329306==		==CASPASE-3:CAS329306==
	<StructureSection load='2xyg' size='340' side='right' caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>		<StructureSection load='2xyg' size='340' side='right' caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XYG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XYG FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[2c2o\|2c2o]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[2c2o\|2c2o]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-3 Caspase-3], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.56 3.4.22.56] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-3 Caspase-3], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.56 3.4.22.56] </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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [http://www.ebi.ac.uk/pdbsum/2xyg 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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [http://pdbe.org/2xyg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [http://www.ebi.ac.uk/pdbsum/2xyg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xyg 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 2xyg" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Caspase-3]]		[[Category: Caspase-3]]
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Ganesan, R]]		[[Category: Ganesan, R]]
	[[Category: Grutter, M G]]		[[Category: Grutter, M G]]

OCA at 06:06, 25 December 2014

OCA — Thu, 25 Dec 2014 06:06:39 GMT

←Older revision		Revision as of 06:06, 25 December 2014
Line 8:		Line 8:
	<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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [http://www.ebi.ac.uk/pdbsum/2xyg 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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [http://www.ebi.ac.uk/pdbsum/2xyg 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>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 27:
	[[Category: Caspase-3]]		[[Category: Caspase-3]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Ganesan, R.]]	+	[[Category: Ganesan, R]]
-	[[Category: Grutter, M G.]]	+	[[Category: Grutter, M G]]
-	[[Category: Jelakovic, S.]]	+	[[Category: Jelakovic, S]]
-	[[Category: Mittl, P R.]]	+	[[Category: Mittl, P R]]
	[[Category: Apoptosis]]		[[Category: Apoptosis]]
	[[Category: Docking]]		[[Category: Docking]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: In silico screening]]		[[Category: In silico screening]]

OCA at 13:04, 22 October 2014

OCA — Wed, 22 Oct 2014 13:04:31 GMT

←Older revision		Revision as of 13:04, 22 October 2014
Line 1:		Line 1:
-	[[~~Image:~~2xyg.~~png~~\|~~left~~\|~~200px~~]]	+	==CASPASE-3:CAS329306==
		+	<StructureSection load='2xyg' size='340' side='right' caption='[[2xyg]], [[Resolution\|resolution]] 1.54Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2xyg]] is a 2 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=2XYG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XYG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=TQ8:N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]-4-METHYL-BENZENESULFONAMIDE'>TQ8</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nme\|1nme]], [[1rhk\|1rhk]], [[2j33\|2j33]], [[1rhr\|1rhr]], [[1nms\|1nms]], [[1rhq\|1rhq]], [[1nmq\|1nmq]], [[1rhj\|1rhj]], [[2dko\|2dko]], [[2cnn\|2cnn]], [[2c2k\|2c2k]], [[2j31\|2j31]], [[2cjy\|2cjy]], [[2cnl\|2cnl]], [[2c2m\|2c2m]], [[1cp3\|1cp3]], [[2cnk\|2cnk]], [[2cjx\|2cjx]], [[2j30\|2j30]], [[1re1\|1re1]], [[2c1e\|2c1e]], [[1pau\|1pau]], [[2cdr\|2cdr]], [[2cno\|2cno]], [[2j32\|2j32]], [[1i3o\|1i3o]], [[1gfw\|1gfw]], [[1rhu\|1rhu]], [[1rhm\|1rhm]], [[1qx3\|1qx3]], [[2c2o\|2c2o]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Caspase-3 Caspase-3], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.56 3.4.22.56] </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=2xyg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xyg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xyg RCSB], [http://www.ebi.ac.uk/pdbsum/2xyg PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Using a fragment-based docking procedure, several small-molecule inhibitors of caspase-3 were identified and tested and the crystal structures of three inhibitor complexes were determined. The crystal structures revealed that one inhibitor (NSC 18508) occupies only the S1 subsite, while two other inhibitors (NSC 89167 and NSC 251810) bind only to the prime part of the substrate-binding site. One of the major conformational changes observed in all three caspase-3-inhibitor complexes is a rotation of the Tyr204 side chain, which blocks the S2 subsite. In addition, the structural variability of the residues shaping the S1-S4 as well as the S1' subsites supports an induced-fit mechanism for the binding of the inhibitors in the active site. The high-resolution crystal structures reported here provide novel insights into the architecture of the substrate-binding site, which might be useful for the design of more potent caspase inhibitors.

-	~~{{STRUCTURE_2xyg\| PDB=2xyg \| SCENE= }}~~	+	In silico identification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moiety.,Ganesan R, Jelakovic S, Mittl PR, Caflisch A, Grutter MG Acta Crystallogr Sect F Struct Biol Cryst Commun. 2011 Aug 1;67(Pt, 8):842-50. Epub 2011 Jul 13. PMID:21821879<ref>PMID:21821879</ref>

-	~~===CASPASE-3:CAS329306===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_21821879}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2xyg]] is~~ a ~~2 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=2XYG OCA].~~	+

	==See Also==		==See Also==
	*[[Caspase\|Caspase]]		*[[Caspase\|Caspase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:021821879<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Caspase-3]]		[[Category: Caspase-3]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]

OCA at 13:29, 20 October 2012

OCA — Sat, 20 Oct 2012 13:29:36 GMT

←Older revision		Revision as of 13:29, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2xyg]] is a 2 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=2XYG OCA].	+	[[2xyg]] is a 2 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=2XYG OCA].

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

OCA at 12:09, 26 July 2012

OCA — Thu, 26 Jul 2012 12:09:19 GMT

←Older revision		Revision as of 12:09, 26 July 2012
Line 1:		Line 1:
-	[[Image:2xyg.~~jpg~~\|left\|200px]]	+	[[Image:2xyg.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2xyg", 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_2xyg\| PDB=2xyg \| SCENE= }}		{{STRUCTURE_2xyg\| PDB=2xyg \| SCENE= }}

	===CASPASE-3:CAS329306===		===CASPASE-3:CAS329306===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_21821879}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 21821879 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_21821879}}		{{ABSTRACT_PUBMED_21821879}}

	==About this Structure==		==About this Structure==
-	[[2xyg]] is a 2 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=2XYG OCA].	+	[[2xyg]] is a 2 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=2XYG OCA].
		+
		+	==See Also==
		+	*[[Caspase\|Caspase]]

	==Reference==		==Reference==

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

OCA — Wed, 17 Aug 2011 06:14:47 GMT

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

←Older revision

Revision as of 06:14, 17 August 2011