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2c2o

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==CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE MICHAEL ACCEPTOR INHIBITORS.==
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<StructureSection load='2c2o' size='340' side='right' caption='[[2c2o]], [[Resolution|resolution]] 2.45&Aring;' scene=''>
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==Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.==
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<StructureSection load='2c2o' size='340' side='right'caption='[[2c2o]], [[Resolution|resolution]] 2.45&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2c2o]] 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=2C2O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C2O FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2c2o]] 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=2C2O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2C2O FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MX3:(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC+ACID'>MX3</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.45&#8491;</td></tr>
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<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]], [[2cdr|2cdr]], [[2cjx|2cjx]], [[2cjy|2cjy]], [[2cnk|2cnk]], [[2cnl|2cnl]], [[2cnn|2cnn]], [[2cno|2cno]], [[2j30|2j30]], [[2j31|2j31]], [[2j32|2j32]], [[2j33|2j33]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MX3:(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC+ACID'>MX3</scene>, <scene name='pdbligand=PHQ:BENZYL+CHLOROCARBONATE'>PHQ</scene></td></tr>
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<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=2c2o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c2o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2c2o RCSB], [http://www.ebi.ac.uk/pdbsum/2c2o PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2c2o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c2o OCA], [https://pdbe.org/2c2o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2c2o RCSB], [https://www.ebi.ac.uk/pdbsum/2c2o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2c2o ProSAT]</span></td></tr>
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<table>
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</table>
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== Function ==
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[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]]
Check<jmol>
Check<jmol>
<jmolCheckbox>
<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/c2/2c2o_consurf.spt"</scriptWhenChecked>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/c2/2c2o_consurf.spt"</scriptWhenChecked>
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
<text>to colour the structure by Evolutionary Conservation</text>
<text>to colour the structure by Evolutionary Conservation</text>
</jmolCheckbox>
</jmolCheckbox>
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</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].
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</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=2c2o ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 2c2o" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[Caspase|Caspase]]
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*[[Caspase 3D structures|Caspase 3D structures]]
== References ==
== References ==
<references/>
<references/>
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</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Asgian, J L.]]
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[[Category: Large Structures]]
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[[Category: Campbell, A J.]]
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[[Category: Synthetic construct]]
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[[Category: Ekici, O D.]]
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[[Category: Asgian JL]]
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[[Category: Ganesan, R.]]
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[[Category: Campbell A]]
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[[Category: Gruetter, M G.]]
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[[Category: Ekici OD]]
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[[Category: James, K E.]]
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[[Category: Ganesan R]]
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[[Category: Jelakovic, S.]]
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[[Category: Gruetter MG]]
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[[Category: Li, Z Z.]]
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[[Category: James KE]]
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[[Category: Mikolajczyk, J.]]
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[[Category: Jelakovic S]]
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[[Category: Powers, J C.]]
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[[Category: Li ZZ]]
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[[Category: Salvesen, G S.]]
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[[Category: Mikolajczyk J]]
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[[Category: Apoptosis]]
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[[Category: Powers JC]]
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[[Category: Aza-asp]]
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[[Category: Salvesen GS]]
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[[Category: Aza-peptide]]
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[[Category: Clan cd]]
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[[Category: Cpp32]]
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[[Category: Cysteine-protease]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Ice]]
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[[Category: Michael acceptor]]
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[[Category: Tetramer]]
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[[Category: Thiol protease]]
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[[Category: Yama]]
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[[Category: Zymogen]]
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Current revision

Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.

PDB ID 2c2o

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