1yk7

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (00:42, 21 November 2024) (edit) (undo)
 
(14 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:1yk7.gif|left|200px]]
 
-
{{Structure
+
==Cathepsin K complexed with a cyanopyrrolidine inhibitor==
-
|PDB= 1yk7 |SIZE=350|CAPTION= <scene name='initialview01'>1yk7</scene>, resolution 2.5&Aring;
+
<StructureSection load='1yk7' size='340' side='right'caption='[[1yk7]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
-
|SITE=
+
== Structural highlights ==
-
|LIGAND= <scene name='pdbligand=NBL:N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE'>NBL</scene>
+
<table><tr><td colspan='2'>[[1yk7]] 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=1YK7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1YK7 FirstGlance]. <br>
-
|ACTIVITY= <span class='plainlinks'>[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] </span>
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
-
|GENE= CTSK, CTSO, CTSO2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NBL:N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE'>NBL</scene></td></tr>
-
|DOMAIN=
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1yk7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yk7 OCA], [https://pdbe.org/1yk7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1yk7 RCSB], [https://www.ebi.ac.uk/pdbsum/1yk7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1yk7 ProSAT]</span></td></tr>
-
|RELATEDENTRY=
+
</table>
-
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1yk7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yk7 OCA], [http://www.ebi.ac.uk/pdbsum/1yk7 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1yk7 RCSB]</span>
+
== 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/yk/1yk7_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=1yk7 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Starting from a PDE IV inhibitor hit derived from high throughput screening of the compound collection, a key pyrrolidine cyanamide pharmacophore was identified. Modifications of the pyrrolidine ring produced enhancements in cathepsin K inhibition. An X-ray co-crystal structure of a cyanamide with cathepsin K confirmed the mode of inhibition.
-
'''Cathepsin K complexed with a cyanopyrrolidine inhibitor'''
+
Novel and potent cyclic cyanamide-based cathepsin K inhibitors.,Deaton DN, Hassell AM, McFadyen RB, Miller AB, Miller LR, Shewchuk LM, Tavares FX, Willard DH Jr, Wright LL Bioorg Med Chem Lett. 2005 Apr 1;15(7):1815-9. PMID:15780613<ref>PMID:15780613</ref>
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 1yk7" style="background-color:#fffaf0;"></div>
-
==Overview==
+
==See Also==
-
Starting from a PDE IV inhibitor hit derived from high throughput screening of the compound collection, a key pyrrolidine cyanamide pharmacophore was identified. Modifications of the pyrrolidine ring produced enhancements in cathepsin K inhibition. An X-ray co-crystal structure of a cyanamide with cathepsin K confirmed the mode of inhibition.
+
*[[Cathepsin 3D structures|Cathepsin 3D structures]]
-
 
+
== References ==
-
==About this Structure==
+
<references/>
-
1YK7 is a [[Single protein]] structure of 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=1YK7 OCA].
+
__TOC__
-
 
+
</StructureSection>
-
==Reference==
+
-
Novel and potent cyclic cyanamide-based cathepsin K inhibitors., Deaton DN, Hassell AM, McFadyen RB, Miller AB, Miller LR, Shewchuk LM, Tavares FX, Willard DH Jr, Wright LL, Bioorg Med Chem Lett. 2005 Apr 1;15(7):1815-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15780613 15780613]
+
-
[[Category: Cathepsin K]]
+
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
-
[[Category: Single protein]]
+
[[Category: Large Structures]]
-
[[Category: Barrett, D G.]]
+
[[Category: Barrett DG]]
-
[[Category: Deaton, D N.]]
+
[[Category: Deaton DN]]
-
[[Category: Hassell, A M.]]
+
[[Category: Hassell AM]]
-
[[Category: McFadyen, R B.]]
+
[[Category: McFadyen RB]]
-
[[Category: Miller, A B.]]
+
[[Category: Miller AB]]
-
[[Category: Miller, L R.]]
+
[[Category: Miller LR]]
-
[[Category: Shewchuk, L M.]]
+
[[Category: Shewchuk LM]]
-
[[Category: Tavares, F X.]]
+
[[Category: Tavares FX]]
-
[[Category: Willard, D H.]]
+
[[Category: Willard DH]]
-
[[Category: Wright, L L.]]
+
[[Category: Wright LL]]
-
[[Category: cathepsin]]
+
-
[[Category: catk]]
+
-
[[Category: cysteine]]
+
-
[[Category: protease]]
+
-
 
+
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:10:29 2008''
+

Current revision

Cathepsin K complexed with a cyanopyrrolidine inhibitor

PDB ID 1yk7

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1yk7"
Personal tools