3hy9: Difference between revisions

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-{{Seed}}
-[[Image:3hy9.png|left|200px]]
-<!--
+==Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound==
-The line below this paragraph, containing "STRUCTURE_3hy9", creates the "Structure Box" on the page.
+<StructureSection load='3hy9' size='340' side='right'caption='[[3hy9]], [[Resolution|resolution]] 2.02&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'>[[3hy9]] is a 2 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=3HY9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3HY9 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]] 2.02&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=098:(3R)-N~2~-(CYCLOPROPYLMETHYL)-N~1~-HYDROXY-3-(3-HYDROXYBENZYL)-N~4~-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-L-ASPARTAMIDE'>098</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-{{STRUCTURE_3hy9|  PDB=3hy9  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3hy9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hy9 OCA], [https://pdbe.org/3hy9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3hy9 RCSB], [https://www.ebi.ac.uk/pdbsum/3hy9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3hy9 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/ATS5_HUMAN ATS5_HUMAN] Cleaves aggrecan, a cartilage proteoglycan, and may be involved in its turnover. May play an important role in the destruction of aggrecan in arthritic diseases. May play a role in proteolytic processing mostly during the peri-implantation period.
+== 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/hy/3hy9_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=3hy9 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Several inhibitors of a series of cis-1(S)2(R)-amino-2-indanol-based compounds were reported to be selective for the aggrecanases, ADAMTS-4 and -5 over other metalloproteases. To understand the nature of this selectivity for aggrecanases, the inhibitors, along with the broad spectrum metalloprotease inhibitor marimastat, were independently bound to the catalytic domain of ADAMTS-5, and the corresponding crystal structures were determined. By comparing the structures, it was determined that the specificity of the relative inhibitors for ADAMTS-5 was not driven by a specific interaction, such as zinc chelation, hydrogen bonding, or charge interactions, but rather by subtle and indirect factors, such as water bridging, ring rigidity, pocket size, and shape, as well as protein conformation flexibility.
-===Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound===
+Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors.,Tortorella MD, Tomasselli AG, Mathis KJ, Schnute ME, Woodard SS, Munie G, Williams JM, Caspers N, Wittwer AJ, Malfait AM, Shieh HS J Biol Chem. 2009 Sep 4;284(36):24185-91. Epub 2009 Jul 8. PMID:19586907<ref>PMID:19586907</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3hy9" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_19586907}}, adds the Publication Abstract to the page
+*[[A Disintegrin And Metalloproteinase 3D structures|A Disintegrin And Metalloproteinase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 19586907 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_19586907}}
+__TOC__
+</StructureSection>
-==About this Structure==
-HY9 is a 2 chains structure of sequences 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=3HY9 OCA].
-==Reference==
-<ref group="xtra">PMID:19586907</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
-[[Category: Caspers, N.]]
+[[Category: Large Structures]]
-[[Category: Mathis, K J.]]
+[[Category: Caspers N]]
-[[Category: Shieh, H S.]]
+[[Category: Mathis KJ]]
-[[Category: Tomasselli, A.]]
+[[Category: Shieh H-S]]
-[[Category: Tortorella, M D.]]
+[[Category: Tomasselli A]]
-[[Category: Williams, J M.]]
+[[Category: Tortorella MD]]
-[[Category: Alpha/beta structure]]
+[[Category: Williams JM]]
-[[Category: Central five stranded beta-sheet]]
-[[Category: Hydrolase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Sep 16 08:34:30 2009''