3gd2: Difference between revisions

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OCA

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 ==isoxazole ligand bound to farnesoid X receptor (FXR)==
-<StructureSection load='3gd2' size='340' side='right' caption='[[3gd2]], [[Resolution|resolution]] 3.20&Aring;' scene=''>
+<StructureSection load='3gd2' size='340' side='right'caption='[[3gd2]], [[Resolution|resolution]] 3.20&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[3gd2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3GD2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3GD2 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[3gd2]] 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=3GD2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3GD2 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=708:3-[(E)-2-(2-CHLORO-4-{[3-{[(R)-(2,6-DICHLOROPHENYL)(HYDROXY)-LAMBDA~4~-SULFANYL]METHYL}-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)ETHENYL]BENZOIC+ACID'>708</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.2&#8491;</td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NR1H4, BAR, FXR, HRR1, RIP14 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=708:3-[(E)-2-(2-CHLORO-4-{[3-{[(R)-(2,6-DICHLOROPHENYL)(HYDROXY)-LAMBDA~4~-SULFANYL]METHYL}-5-(1-METHYLETHYL)ISOXAZOL-4-YL]METHOXY}PHENYL)ETHENYL]BENZOIC+ACID'>708</scene></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3gd2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3gd2 OCA], [http://pdbe.org/3gd2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3gd2 RCSB], [http://www.ebi.ac.uk/pdbsum/3gd2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3gd2 ProSAT]</span></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=3gd2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3gd2 OCA], [https://pdbe.org/3gd2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3gd2 RCSB], [https://www.ebi.ac.uk/pdbsum/3gd2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3gd2 ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/NR1H4_HUMAN NR1H4_HUMAN]] Ligand-activated transcription factor. Receptor for bile acids such as chenodeoxycholic acid, lithocholic acid and deoxycholic acid. Represses the transcription of the cholesterol 7-alpha-hydroxylase gene (CYP7A1) through the induction of NR0B2 or FGF19 expression, via two distinct mechanisms. Activates the intestinal bile acid-binding protein (IBABP). Activates the transcription of bile salt export pump ABCB11 by directly recruiting histone methyltransferase CARM1 to this locus.<ref>PMID:10334992</ref> <ref>PMID:10334993</ref> <ref>PMID:12815072</ref> <ref>PMID:15471871</ref> <ref>PMID:12718892</ref> <ref>PMID:18621523</ref> <ref>PMID:19410460</ref> <ref>PMID:19586769</ref>
+[https://www.uniprot.org/uniprot/NR1H4_HUMAN NR1H4_HUMAN] Ligand-activated transcription factor. Receptor for bile acids such as chenodeoxycholic acid, lithocholic acid and deoxycholic acid. Represses the transcription of the cholesterol 7-alpha-hydroxylase gene (CYP7A1) through the induction of NR0B2 or FGF19 expression, via two distinct mechanisms. Activates the intestinal bile acid-binding protein (IBABP). Activates the transcription of bile salt export pump ABCB11 by directly recruiting histone methyltransferase CARM1 to this locus.<ref>PMID:10334992</ref> <ref>PMID:10334993</ref> <ref>PMID:12815072</ref> <ref>PMID:15471871</ref> <ref>PMID:12718892</ref> <ref>PMID:18621523</ref> <ref>PMID:19410460</ref> <ref>PMID:19586769</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/gd/3gd2_consurf.spt"</scriptWhenChecked>
+     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gd/3gd2_consurf.spt"</scriptWhenChecked>
      <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
      <text>to colour the structure by Evolutionary Conservation</text>
@@ Line 20: / Line 20: @@
 </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=3gd2 ConSurf].
 <div style="clear:both"></div>
-<div style="background-color:#fffaf0;">
-== Publication Abstract from PubMed ==
-Starting from the known FXR agonist GW 4064 1a, a series of alternately 3,5-substituted isoxazoles was prepared. Several of these analogs were potent full FXR agonists. A subset of this series, with a tether between the isoxazole ring and the 3-position aryl substituent, were equipotent FXR agonists to GW 4064 1a, with the 2,6-dimethyl phenol analog 1t having greater FRET FXR potency than GW 4064 1a.
-Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.,Bass JY, Caldwell RD, Caravella JA, Chen L, Creech KL, Deaton DN, Madauss KP, Marr HB, McFadyen RB, Miller AB, Parks DJ, Todd D, Williams SP, Wisely GB Bioorg Med Chem Lett. 2009 Jun 1;19(11):2969-73. Epub 2009 Apr 18. PMID:19410460<ref>PMID:19410460</ref>
+==See Also==
+*[[Bile acid receptor 3D structures|Bile acid receptor 3D structures]]
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 3gd2" style="background-color:#fffaf0;"></div>
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Human]]
+[[Category: Homo sapiens]]
-[[Category: Deaton, D N]]
+[[Category: Large Structures]]
-[[Category: Madauss, K P]]
+[[Category: Deaton DN]]
-[[Category: Mcfadyen, R B]]
+[[Category: Madauss KP]]
-[[Category: Williams, S P]]
+[[Category: Mcfadyen RB]]
-[[Category: Wisely, G B]]
+[[Category: Williams SP]]
-[[Category: Activator]]
+[[Category: Wisely GB]]
-[[Category: Alternative splicing]]
-[[Category: Dna-binding]]
-[[Category: Fxr]]
-[[Category: Metal-binding]]
-[[Category: Nuclear recptor]]
-[[Category: Nucleus]]
-[[Category: Receptor]]
-[[Category: Repressor]]
-[[Category: Transcription]]
-[[Category: Transcription regulation]]
-[[Category: Transcription-transcription activator complex]]
-[[Category: Zinc]]
-[[Category: Zinc-finger]]