3fc6: Difference between revisions
New page: '''Unreleased structure''' The entry 3fc6 is ON HOLD Authors: Washburn, D.G., Hoang, T.H., Campobasso, N., Smallwood, A., Parks, D.J., Webb, C.L., Frank, K., Nord, M., Duraiswami, C., E... |
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The | ==hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875== | ||
<StructureSection load='3fc6' size='340' side='right'caption='[[3fc6]], [[Resolution|resolution]] 2.06Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3fc6]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3FC6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3FC6 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]] 2.063Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LX2:[4-(3-{[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO}PROPOXY)-1H-INDOL-1-YL]ACETIC+ACID'>LX2</scene>, <scene name='pdbligand=REA:RETINOIC+ACID'>REA</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=3fc6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3fc6 OCA], [https://pdbe.org/3fc6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3fc6 RCSB], [https://www.ebi.ac.uk/pdbsum/3fc6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3fc6 ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/RXRA_HUMAN RXRA_HUMAN] Receptor for retinoic acid. Retinoic acid receptors bind as heterodimers to their target response elements in response to their ligands, all-trans or 9-cis retinoic acid, and regulate gene expression in various biological processes. The RAR/RXR heterodimers bind to the retinoic acid response elements (RARE) composed of tandem 5'-AGGTCA-3' sites known as DR1-DR5. The high affinity ligand for RXRs is 9-cis retinoic acid. RXRA serves as a common heterodimeric partner for a number of nuclear receptors. The RXR/RAR heterodimers bind to the retinoic acid response elements (RARE) composed of tandem 5'-AGGTCA-3' sites known as DR1-DR5. In the absence of ligand, the RXR-RAR heterodimers associate with a multiprotein complex containing transcription corepressors that induce histone acetylation, chromatin condensation and transcriptional suppression. On ligand binding, the corepressors dissociate from the receptors and associate with the coactivators leading to transcriptional activation. The RXRA/PPARA heterodimer is required for PPARA transcriptional activity on fatty acid oxidation genes such as ACOX1 and the P450 system genes.<ref>PMID:10195690</ref> <ref>PMID:11162439</ref> <ref>PMID:11915042</ref> <ref>PMID:20215566</ref> | |||
== 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/fc/3fc6_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=3fc6 ConSurf]. | |||
<div style="clear:both"></div> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
A novel series of 1H-indol-1-yl tertiary amine LXR agonists has been designed. Compounds from this series were potent agonists with good rat pharmacokinetic parameters. In addition, the crystal structure of an LXR agonist bound to LXRalpha will be disclosed. | |||
Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.,Washburn DG, Hoang TH, Campobasso N, Smallwood A, Parks DJ, Webb CL, Frank KA, Nord M, Duraiswami C, Evans C, Jaye M, Thompson SK Bioorg Med Chem Lett. 2009 Jan 9. PMID:19167885<ref>PMID:19167885</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 3fc6" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Retinoid X receptor 3D structures|Retinoid X receptor 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | |||
[[Category: Large Structures]] | |||
[[Category: Mus musculus]] | |||
[[Category: Campobasso N]] | |||
[[Category: Duraiswami C]] | |||
[[Category: Evans C]] | |||
[[Category: Frank K]] | |||
[[Category: Hoang TH]] | |||
[[Category: Jaye M]] | |||
[[Category: Nord M]] | |||
[[Category: Parks DJ]] | |||
[[Category: Smallwood A]] | |||
[[Category: Thompson SK]] | |||
[[Category: Washburn DG]] | |||
[[Category: Webb CL]] | |||