5qc4

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m (Protected "5qc4" [edit=sysop:move=sysop])
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'''Unreleased structure'''
 
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The entry 5qc4 is ON HOLD
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==Crystal structure of human Cathepsin-S with bound ligand==
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<StructureSection load='5qc4' size='340' side='right' caption='[[5qc4]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5qc4]] is a 2 chain structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=3kwn 3kwn]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5QC4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5QC4 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BC7:2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone'>BC7</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_S Cathepsin S], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.27 3.4.22.27] </span></td></tr>
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<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=5qc4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5qc4 OCA], [http://pdbe.org/5qc4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5qc4 RCSB], [http://www.ebi.ac.uk/pdbsum/5qc4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5qc4 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/CATS_HUMAN CATS_HUMAN]] Thiol protease. Key protease responsible for the removal of the invariant chain from MHC class II molecules. The bond-specificity of this proteinase is in part similar to the specificities of cathepsin L and cathepsin N.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of tetrahydropyrido-pyrazole cathepsin S (CatS) inhibitors with thioether acetamide functional groups were prepared with the goal of improving upon the cellular activity of amidoethylthioethers. This Letter describes altered amide connectivity, in conjunction with changes to other binding elements, resulting in improved potency, as well as increased knowledge of the relationship between this chemotype and human CatS activity.
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Authors: Yang, H., Shao, C., Burley, S.
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Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.,Wiener DK, Lee-Dutra A, Bembenek S, Nguyen S, Thurmond RL, Sun S, Karlsson L, Grice CA, Jones TK, Edwards JP Bioorg Med Chem Lett. 2010 Apr 1;20(7):2379-82. Epub 2010 Feb 8. PMID:20188543<ref>PMID:20188543</ref>
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Description: Ligand binding to Cathepsin S
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Burley, S]]
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<div class="pdbe-citations 5qc4" style="background-color:#fffaf0;"></div>
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[[Category: Yang, H]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Cathepsin S]]
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[[Category: Ameriks, M K]]
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[[Category: Bembenek, S D]]
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[[Category: Burley, S K]]
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[[Category: Mirzadegan, T]]
[[Category: Shao, C]]
[[Category: Shao, C]]
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[[Category: Yang, H]]
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[[Category: Cathepsin s]]
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[[Category: D3r]]
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[[Category: Hydrolase]]
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[[Category: Ligand docking]]

Revision as of 06:01, 20 December 2017

Crystal structure of human Cathepsin-S with bound ligand

5qc4, resolution 2.00Å

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