1h3a: Difference between revisions

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-[[Image:1h3a.png|left|200px]]
-<!--
+==Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme==
-The line below this paragraph, containing "STRUCTURE_1h3a", creates the "Structure Box" on the page.
+<StructureSection load='1h3a' size='340' side='right'caption='[[1h3a]], [[Resolution|resolution]] 2.85&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'>[[1h3a]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius Alicyclobacillus acidocaldarius]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H3A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H3A 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]] 2.85&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=R04:(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE'>R04</scene></td></tr>
-{{STRUCTURE_1h3a|  PDB=1h3a  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1h3a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h3a OCA], [https://pdbe.org/1h3a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h3a RCSB], [https://www.ebi.ac.uk/pdbsum/1h3a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h3a ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/SQHC_ALIAD SQHC_ALIAD] Catalyzes the cyclization of squalene into hopene.
+== 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/h3/1h3a_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=1h3a ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The binding structures of 11 human oxidosqualene cyclase inhibitors designed as cholesterol-lowering agents were determined for the squalene-hopene cyclase from Alicyclobacillus acidocaldarius, which is the only structurally known homologue of the human enzyme. The complexes were produced by cocrystallization, and the structures were elucidated by X-ray diffraction analyses. All inhibitors were bound in the large active center cavity. The detailed binding structures are presented and discussed in the light of the IC50 values of these 11 as well as 17 other inhibitors. They provide a consistent picture for the inhibition of the bacterial enzyme and can be used to adjust and improve homology models of the human enzyme. The detailed active center structures of the two enzymes are too different to show an IC50 correlation.
-===STRUCTURES OF HUMAN OXIDOSQUALENE CYCLASE INHIBITORS BOUND TO A HOMOLGOUS ENZYME===
+Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase.,Lenhart A, Reinert DJ, Aebi JD, Dehmlow H, Morand OH, Schulz GE J Med Chem. 2003 May 22;46(11):2083-92. PMID:12747780<ref>PMID:12747780</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 1h3a" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_12747780}}, adds the Publication Abstract to the page
+*[[Squalene-hopene cyclase|Squalene-hopene cyclase]]
-(as it appears on PubMed at http://www.pubmed.gov), where 12747780 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_12747780}}
+__TOC__
+</StructureSection>
-==About this Structure==
-[[1h3a]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius Alicyclobacillus acidocaldarius]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H3A OCA].
-==Reference==
-<ref group="xtra">PMID:12747780</ref><ref group="xtra">PMID:12031670</ref><ref group="xtra">PMID:9931258</ref><ref group="xtra">PMID:9295270</ref><ref group="xtra">PMID:9162756</ref><references group="xtra"/>
 [[Category: Alicyclobacillus acidocaldarius]]
-[[Category: Aebi, J D.]]
+[[Category: Large Structures]]
-[[Category: Dehmlow, H.]]
+[[Category: Aebi JD]]
-[[Category: Lenhart, A.]]
+[[Category: Dehmlow H]]
-[[Category: Morand, O H.]]
+[[Category: Lenhart A]]
-[[Category: Reinert, D J.]]
+[[Category: Morand OH]]
-[[Category: Schulz, G E.]]
+[[Category: Reinert DJ]]
-[[Category: Weihofen, W A.]]
+[[Category: Schulz GE]]
-[[Category: Cholesterol biosynthesis]]
+[[Category: Weihofen WA]]
-[[Category: Inhibitor]]
-[[Category: Interaction]]
-[[Category: Isomerase]]
-[[Category: Monotopic membrane protein]]
-[[Category: Oxidosqualene cyclase]]