2r6n: Difference between revisions

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-[[Image:2r6n.png|left|200px]]
-<!--
+==Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K==
-The line below this paragraph, containing "STRUCTURE_2r6n", creates the "Structure Box" on the page.
+<StructureSection load='2r6n' size='340' side='right'caption='[[2r6n]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[2r6n]] is a 1 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=2R6N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2R6N FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.95&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CKE:1-{7-CYCLOHEXYL-6-[4-(4-METHYLPIPERAZIN-1-YL)BENZYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}METHANAMINE'>CKE</scene></td></tr>
-{{STRUCTURE_2r6n|  PDB=2r6n  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2r6n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2r6n OCA], [https://pdbe.org/2r6n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2r6n RCSB], [https://www.ebi.ac.uk/pdbsum/2r6n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2r6n ProSAT]</span></td></tr>
+</table>
+== Disease ==
+[https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Defects in CTSK are the cause of pycnodysostosis (PKND) [MIM:[https://omim.org/entry/265800 265800]. PKND is an autosomal recessive osteochondrodysplasia characterized by osteosclerosis and short stature.<ref>PMID:8703060</ref> <ref>PMID:9529353</ref> <ref>PMID:10491211</ref> <ref>PMID:10878663</ref>
+== Function ==
+[https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Closely involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation.
+== 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/r6/2r6n_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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/main_output.php?pdb_ID=2r6n ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Pyrrolopyrimidine, a novel scaffold, allows to adjust interactions within the S3 subsite of cathepsin K. The core intermediate 10 facilitated the P3 optimization and identified highly potent and selective cathepsin K inhibitors 11-20.
-===Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K===
+Novel scaffold for cathepsin K inhibitors.,Teno N, Miyake T, Ehara T, Irie O, Sakaki J, Ohmori O, Gunji H, Matsuura N, Masuya K, Hitomi Y, Nonomura K, Horiuchi M, Gohda K, Iwasaki A, Umemura I, Tada S, Kometani M, Iwasaki G, Cowan-Jacob SW, Missbach M, Lattmann R, Betschart C Bioorg Med Chem Lett. 2007 Nov 15;17(22):6096-100. Epub 2007 Sep 15. PMID:17911019<ref>PMID:17911019</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<!--
+</div>
-The line below this paragraph, {{ABSTRACT_PUBMED_17911019}}, adds the Publication Abstract to the page
+<div class="pdbe-citations 2r6n" style="background-color:#fffaf0;"></div>
-(as it appears on PubMed at http://www.pubmed.gov), where 17911019 is the PubMed ID number.
--->
-{{ABSTRACT_PUBMED_17911019}}
-==About this Structure==
-[[2r6n]] is a 1 chain structure of [[Cathepsin]] 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=2R6N OCA].
 ==See Also==
-*[[Cathepsin]]
+*[[Cathepsin 3D structures|Cathepsin 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:17911019</ref><references group="xtra"/>
+__TOC__
-[[Category: Cathepsin K]]
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Cowan-Jacob, S W.]]
+[[Category: Large Structures]]
-[[Category: Geisse, S.]]
+[[Category: Cowan-Jacob SW]]
-[[Category: Mathis, B.]]
+[[Category: Geisse S]]
-[[Category: Ramage, P.]]
+[[Category: Mathis B]]
-[[Category: Covalent bond to inhibitor]]
+[[Category: Ramage P]]
-[[Category: Disease mutation]]
-[[Category: Glycoprotein]]
-[[Category: Hydrolase]]
-[[Category: Lysosome]]
-[[Category: Protease]]
-[[Category: Thiol protease]]
-[[Category: Zymogen]]