6cl1: Difference between revisions

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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-'''Unreleased structure'''
-The entry 6cl1 is ON HOLD
+==Caspase-7 in complex with Ac-DW3-KE==
+<StructureSection load='6cl1' size='340' side='right'caption='[[6cl1]], [[Resolution|resolution]] 2.65&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6cl1]] is a 6 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=6CL1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6CL1 FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.651&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1MH:3-PYRIDIN-3-YL-L-ALANINE'>1MH</scene>, <scene name='pdbligand=1U8:(3S)-3-AMINO-5-[(2,6-DIMETHYLBENZOYL)OXY]-4-OXOPENTANOIC+ACID'>1U8</scene>, <scene name='pdbligand=B3L:(3S)-3-AMINO-5-METHYLHEXANOIC+ACID'>B3L</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=6cl1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cl1 OCA], [https://pdbe.org/6cl1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6cl1 RCSB], [https://www.ebi.ac.uk/pdbsum/6cl1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6cl1 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/CASP7_HUMAN CASP7_HUMAN] Involved in the activation cascade of caspases responsible for apoptosis execution. Cleaves and activates sterol regulatory element binding proteins (SREBPs). Proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-|-Gly-217' bond. Overexpression promotes programmed cell death.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Individual roles and overlapping functionalities of 12 human caspases during apoptosis and other cellular processes remain poorly resolved primarily due to a lack of chemical tools. Here we present a new selective caspase-3 inhibitor, termed Ac-ATS010-KE, with rapid and irreversible binding kinetics. Relative to previously designed caspase-3-selective molecules that have tremendously abated inhibitory rates and thus limited use in biological settings, the improved kinetics of Ac-ATS010-KE permits its use in a cell-based capacity. We demonstrate that Ac-ATS010-KE prevents apoptosis with comparable efficacy to the general caspase inhibitor Ac-DEVD-KE and surprisingly does so without side-chain methylation. This observation is in contrast to the well-established peptide modification strategy typically employed for improving cellular permeability. Ac-ATS010-KE protects against extrinsic apoptosis, which demonstrates the utility of a thiophene carboxylate leaving group in biological settings, challenges the requisite neutralization of free carboxylic acids to improve cell permeability, and provides a tool-like compound to interrogate the role of caspase-3 in a variety of cellular processes.
-Authors: Solania, A.T., Gonzalez-Paez, G.E., Wolan, D.W.
+Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.,Solania A, Gonzalez-Paez GE, Wolan DW ACS Chem Biol. 2019 Nov 15;14(11):2463-2470. doi: 10.1021/acschembio.9b00564., Epub 2019 Aug 1. PMID:31334631<ref>PMID:31334631</ref>
-Description: Human caspase-3 in complex with Ac-ATS009-KE
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Gonzalez-Paez, G.E]]
+<div class="pdbe-citations 6cl1" style="background-color:#fffaf0;"></div>
-[[Category: Solania, A.T]]
-[[Category: Wolan, D.W]]
+==See Also==
+*[[Caspase 3D structures|Caspase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Synthetic construct]]
+[[Category: Gonzalez-Paez GE]]
+[[Category: Solania AT]]
+[[Category: Wolan DW]]