4ia1

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==Diastereotopic and Deuterium Effects in Gemini==
==Diastereotopic and Deuterium Effects in Gemini==
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<StructureSection load='4ia1' size='340' side='right' caption='[[4ia1]], [[Resolution|resolution]] 2.44&Aring;' scene=''>
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<StructureSection load='4ia1' size='340' side='right'caption='[[4ia1]], [[Resolution|resolution]] 2.44&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4ia1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Brachidanio_rerio Brachidanio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4IA1 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4ia1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IA1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IA1 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene></td></tr>
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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]] 2.44&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2hcd|2hcd]], [[3o1e|3o1e]], [[3o1d|3o1d]], [[4ia2|4ia2]], [[4ia3|4ia3]], [[4ia7|4ia7]]</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=BIV:21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,+20-(4-HYDROXY-4-METHYLPENTYL)-,+(1A,3B,5Z,7E)'>BIV</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">vdra, nr1i1a, vdr ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Brachidanio rerio])</td></tr>
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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=4ia1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia1 OCA], [https://pdbe.org/4ia1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ia1 RCSB], [https://www.ebi.ac.uk/pdbsum/4ia1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ia1 ProSAT]</span></td></tr>
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<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=4ia1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ia1 OCA], [http://pdbe.org/4ia1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ia1 RCSB], [http://www.ebi.ac.uk/pdbsum/4ia1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ia1 ProSAT]</span></td></tr>
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</table>
</table>
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== Disease ==
 
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[[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Note=Chromosomal aberrations involving NCOA2 may be a cause of acute myeloid leukemias. Inversion inv(8)(p11;q13) generates the KAT6A-NCOA2 oncogene, which consists of the N-terminal part of KAT6A and the C-terminal part of NCOA2/TIF2. KAT6A-NCOA2 binds to CREBBP and disrupts its function in transcription activation.
 
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE]] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref> [[http://www.uniprot.org/uniprot/NCOA2_HUMAN NCOA2_HUMAN]] Transcriptional coactivator for steroid receptors and nuclear receptors. Coactivator of the steroid binding domain (AF-2) but not of the modulating N-terminal domain (AF-1). Required with NCOA1 to control energy balance between white and brown adipose tissues.<ref>PMID:9430642</ref>
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[https://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Changing the geminal methyl groups on 1alpha,25 dihydroxyvitamin D3 and its analogs to the deuterio versions generally improves the bioactivity. Derivatives of 1alpha,25 dihydroxyvitamin D3 with two chains emanating at C20, commonly referred to as gemini, are subject to the same phenomenon. Additionally, gemini with different side chains are susceptible to bioactivity differentials where the C17-20 threo configuration usually imparts higher activity than the corresponding erythro arrangement. In an effort to analyze the deuterium effect on gemini with minimal diastereotopic distortion, we synthesized gemini with equal side chains but introduced deuterium diastereospecifically on either chain. We solved the crystal structures of these compounds in the zebra fish zVDR ligand binding domain as complexes with NCoA-2 coactivator peptide and correlated the findings with growth inhibition in a breast cancer cell line.
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Diastereotopic and Deuterium Effects in Gemini.,Maehr H, Rochel N, Lee HJ, Suh N, Milan UR J Med Chem. 2013 Apr 8. PMID:23566225<ref>PMID:23566225</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 4ia1" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Brachidanio rerio]]
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[[Category: Danio rerio]]
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[[Category: Maehr, H]]
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[[Category: Homo sapiens]]
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[[Category: Rochel, N]]
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[[Category: Large Structures]]
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[[Category: Suh, N]]
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[[Category: Maehr H]]
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[[Category: Uskokovic, M]]
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[[Category: Rochel N]]
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[[Category: Alpha helical sandwich]]
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[[Category: Suh N]]
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[[Category: Dna]]
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[[Category: Uskokovic M]]
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[[Category: Nucleus]]
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[[Category: Phosphorylation]]
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[[Category: Rxr]]
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[[Category: Transcription regulation]]
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[[Category: Transcription-transcription activator complex]]
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[[Category: Vdr-synthetic agonist complex]]
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Current revision

Diastereotopic and Deuterium Effects in Gemini

PDB ID 4ia1

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