3kx1

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[[Image:3kx1.png|left|200px]]
 
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==Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor==
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The line below this paragraph, containing "STRUCTURE_3kx1", creates the "Structure Box" on the page.
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<StructureSection load='3kx1' size='340' side='right'caption='[[3kx1]], [[Resolution|resolution]] 1.51&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3kx1]] 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=3KX1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KX1 FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.51&#8491;</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=KX1:4-CYCLOHEPTYL-6-(3-PIPERIDIN-1-YLPROPYL)PYRIMIDINE-2-CARBONITRILE'>KX1</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_3kx1| PDB=3kx1 | SCENE= }}
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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=3kx1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kx1 OCA], [https://pdbe.org/3kx1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kx1 RCSB], [https://www.ebi.ac.uk/pdbsum/3kx1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kx1 ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[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>
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== Function ==
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[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.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kx/3kx1_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</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/main_output.php?pdb_ID=3kx1 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Morphing structural features of HTS-derived chemotypes led to the discovery of novel 2-cyano-pyrimidine inhibitors of cathepsin K with good pharmacokinetic profiles, for example, compound 20 showed high catK potency (IC(50)=4nM), &gt;580-fold selectivity over catL and catB, and oral bioavailability in the rat of 52%.
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===Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor===
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Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.,Rankovic Z, Cai J, Kerr J, Fradera X, Robinson J, Mistry A, Hamilton E, McGarry G, Andrews F, Caulfield W, Cumming I, Dempster M, Waller J, Scullion P, Martin I, Mitchell A, Long C, Baugh M, Westwood P, Kinghorn E, Bruin J, Hamilton W, Uitdehaag J, van Zeeland M, Potin D, Saniere L, Fouquet A, Chevallier F, Deronzier H, Dorleans C, Nicolai E Bioorg Med Chem Lett. 2010 Mar 1;20(5):1524-7. Epub 2010 Jan 25. PMID:20149657<ref>PMID:20149657</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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The line below this paragraph, {{ABSTRACT_PUBMED_20149657}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 3kx1" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 20149657 is the PubMed ID number.
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{{ABSTRACT_PUBMED_20149657}}
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==About this Structure==
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[[3kx1]] 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=3KX1 OCA].
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==See Also==
==See Also==
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*[[Cathepsin]]
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*[[Cathepsin 3D structures|Cathepsin 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:20149657</ref><references group="xtra"/>
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__TOC__
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[[Category: Cathepsin K]]
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Fradera, X.]]
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[[Category: Large Structures]]
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[[Category: Uitdehaag, J C.M.]]
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[[Category: Fradera X]]
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[[Category: Zeeland, M van.]]
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[[Category: Uitdehaag JCM]]
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[[Category: Cathepsin k]]
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[[Category: Van Zeeland M]]
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[[Category: Covalent reversible inhibitor]]
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[[Category: Disease mutation]]
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[[Category: Disulfide bond]]
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[[Category: Enzyme inhibitor]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Lysosome]]
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[[Category: Protease]]
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[[Category: Thiol protease]]
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[[Category: Zymogen]]
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Current revision

Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor

PDB ID 3kx1

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