2r6n: Difference between revisions

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

OCA

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-[[Image:2r6n.gif|left|200px]]<br />
-<applet load="2r6n" size="450" color="white" frame="true" align="right" spinBox="true"
-caption="2r6n, resolution 1.950&Aring;" />
-'''Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K'''<br />
-==Overview==
+==Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K==
-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.
+<StructureSection load='2r6n' size='340' side='right'caption='[[2r6n]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
+== Structural highlights ==
+<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>
+</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>
+<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.
-==Disease==
+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>
-Known disease associated with this structure: Pycnodysostosis OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=601105 601105]]
-==About this Structure==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-R6N is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with CKE as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2R6N OCA].
+</div>
+<div class="pdbe-citations 2r6n" style="background-color:#fffaf0;"></div>
-==Reference==
+==See Also==
-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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17911019 17911019]
+*[[Cathepsin 3D structures|Cathepsin 3D structures]]
-[[Category: Cathepsin K]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Single protein]]
+[[Category: Large Structures]]
-[[Category: Cowan-Jacob, S.W.]]
+[[Category: Cowan-Jacob SW]]
-[[Category: Geisse, S.]]
+[[Category: Geisse S]]
-[[Category: Mathis, B.]]
+[[Category: Mathis B]]
-[[Category: Ramage, P.]]
+[[Category: Ramage P]]
-[[Category: CKE]]
-[[Category: covalent bond to inhibitor]]
-[[Category: disease mutation]]
-[[Category: glycoprotein]]
-[[Category: hydrolase]]
-[[Category: lysosome]]
-[[Category: protease]]
-[[Category: thiol protease]]
-[[Category: zymogen]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 23:36:16 2007''