1ilh

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{{Seed}}
 
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[[Image:1ilh.png|left|200px]]
 
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==Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813==
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The line below this paragraph, containing "STRUCTURE_1ilh", creates the "Structure Box" on the page.
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<StructureSection load='1ilh' size='340' side='right'caption='[[1ilh]], [[Resolution|resolution]] 2.76&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1ilh]] 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=1ILH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ILH FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.76&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SRL:[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC+ACID+DIETHLYL+ESTER'>SRL</scene></td></tr>
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{{STRUCTURE_1ilh| PDB=1ilh | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ilh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ilh OCA], [https://pdbe.org/1ilh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ilh RCSB], [https://www.ebi.ac.uk/pdbsum/1ilh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ilh ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/NR1I2_HUMAN NR1I2_HUMAN] Nuclear receptor that binds and is activated by variety of endogenous and xenobiotic compounds. Transcription factor that activates the transcription of multiple genes involved in the metabolism and secretion of potentially harmful xenobiotics, drugs and endogenous compounds. Activated by the antibiotic rifampicin and various plant metabolites, such as hyperforin, guggulipid, colupulone, and isoflavones. Response to specific ligands is species-specific. Activated by naturally occurring steroids, such as pregnenolone and progesterone. Binds to a response element in the promoters of the CYP3A4 and ABCB1/MDR1 genes.<ref>PMID:9727070</ref> <ref>PMID:11668216</ref> <ref>PMID:11297522</ref> <ref>PMID:19297428</ref> <ref>PMID:12578355</ref> <ref>PMID:18768384</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/il/1ilh_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1ilh ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The human nuclear pregnane X receptor (hPXR) activates cytochrome P450-3A expression in response to a wide variety of xenobiotics and plays a critical role in mediating dangerous drug-drug interactions. We present the crystal structures of the ligand-binding domain of hPXR both alone and in complex with the cholesterol-lowering drug SR12813 at resolutions of 2.5 and 2.75 angstroms, respectively. The hydrophobic ligand-binding cavity of hPXR contains a small number of polar residues, permitting SR12813 to bind in three distinct orientations. The position and nature of these polar residues were found to be critical for establishing the precise pharmacologic activation profile of PXR. Our findings provide important insights into how hPXR detects xenobiotics and may prove useful in predicting and avoiding drug-drug interactions.
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===Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813===
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The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.,Watkins RE, Wisely GB, Moore LB, Collins JL, Lambert MH, Williams SP, Willson TM, Kliewer SA, Redinbo MR Science. 2001 Jun 22;292(5525):2329-33. Epub 2001 Jun 14. PMID:11408620<ref>PMID:11408620</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 1ilh" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_11408620}}, adds the Publication Abstract to the page
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*[[Pregnane X receptor|Pregnane X receptor]]
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(as it appears on PubMed at http://www.pubmed.gov), where 11408620 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_11408620}}
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__TOC__
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</StructureSection>
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==About this Structure==
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1ILH is a [[Single protein]] structure of sequence 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=1ILH OCA].
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==Reference==
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The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity., Watkins RE, Wisely GB, Moore LB, Collins JL, Lambert MH, Williams SP, Willson TM, Kliewer SA, Redinbo MR, Science. 2001 Jun 22;292(5525):2329-33. Epub 2001 Jun 14. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11408620 11408620]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Redinbo, M R.]]
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[[Category: Redinbo MR]]
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[[Category: Watkins, R E.]]
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[[Category: Watkins RE]]
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[[Category: Ligand]]
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[[Category: Multiple binding mode]]
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[[Category: Nuclear receptor]]
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[[Category: Promiscuous]]
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[[Category: Xenobiotic]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 13:27:45 2008''
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Current revision

Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813

PDB ID 1ilh

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