View source for 3q30


==Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid==
<StructureSection load='3q30' size='340' side='right'caption='[[3q30]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3q30]] 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=3Q30 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q30 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]] 2&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D61:(2R,3R)-2-(CARBOXYMETHOXY)-4-{[5-(NAPHTHALEN-2-YL)PENTYL]AMINO}-3-{[5-(NAPHTHALEN-2-YL)PENTYL]OXY}-4-OXOBUTANOIC+ACID'>D61</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=3q30 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q30 OCA], [https://pdbe.org/3q30 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q30 RCSB], [https://www.ebi.ac.uk/pdbsum/3q30 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q30 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/FDFT_HUMAN FDFT_HUMAN] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
To obtain small and efficient squalene synthase inhibitors, a flexible 2-aminobenzhydrol open form structure was designed and showed potent inhibitory activity comparable to 4,1-benzoxazepin compounds. Further chemical modification led to the discovery of a novel template with a strong squalene synthase inhibitory activity, and its basic structure-activity relationship was revealed. The X-ray crystallographic data of compound 12 bound to the active site of squalene synthase provided an important insight into the binding mode of this alternative template that formed 11-membered ring conformations with an intramolecular hydrogen bond.

Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors.,Ichikawa M, Yokomizo A, Itoh M, Sugita K, Usui H, Shimizu H, Suzuki M, Terayama K, Kanda A Bioorg Med Chem. 2011 Mar 15;19(6):1930-49. Epub 2011 Feb 3. PMID:21353782<ref>PMID:21353782</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3q30" style="background-color:#fffaf0;"></div>

==See Also==
*[[Squalene synthase|Squalene synthase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Higashihashi N]]
[[Category: Ichikawa M]]
[[Category: Itoh M]]
[[Category: Katakura S]]
[[Category: Shimizu H]]
[[Category: Sugita K]]
[[Category: Suzuki M]]
[[Category: Usui H]]
[[Category: Yamazaki K]]
[[Category: Yokomizo A]]