4j03

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'''Unreleased structure'''
 
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The entry 4j03 is ON HOLD
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==Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant==
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<StructureSection load='4j03' size='340' side='right'caption='[[4j03]], [[Resolution|resolution]] 2.92&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4j03]] 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=4J03 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4J03 FirstGlance]. <br>
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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]] 2.92&#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=FVS:(7BETA,9BETA,13ALPHA,17BETA)-7-{9-[(R)-(4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL]NONYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL'>FVS</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></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=4j03 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4j03 OCA], [https://pdbe.org/4j03 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4j03 RCSB], [https://www.ebi.ac.uk/pdbsum/4j03 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4j03 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/HYES_HUMAN HYES_HUMAN] Bifunctional enzyme. The C-terminal domain has epoxide hydrolase activity and acts on epoxides (alkene oxides, oxiranes) and arene oxides. Plays a role in xenobiotic metabolism by degrading potentially toxic epoxides. Also determines steady-state levels of physiological mediators. The N-terminal domain has lipid phosphatase activity, with the highest activity towards threo-9,10-phosphonooxy-hydroxy-octadecanoic acid, followed by erythro-9,10-phosphonooxy-hydroxy-octadecanoic acid, 12-phosphonooxy-octadec-9Z-enoic acid, 12-phosphonooxy-octadec-9E-enoic acid, and p-nitrophenyl phospate.<ref>PMID:12574508</ref> <ref>PMID:12574510</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The soluble epoxide hydrolase (sEH) is a key enzyme in the metabolism of epoxy-fatty acids, signaling molecules involved in numerous biologies. Toward finding novel inhibitors of sEH, a library of known drugs was tested for inhibition of sEH. We found that fulvestrant, an anticancer agent, is a potent (KI=26nM) competitive inhibitor of sEH. From this observation, we found that alkyl-sulfoxides represent a new kind of pharmacophore for the inhibition of sEH.
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Authors: Morisseau, C., Pakhomova, S. , Hwang, S.H., Newcomer, M.E. , Hammock, B.D.
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Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.,Morisseau C, Pakhomova S, Hwang SH, Newcomer ME, Hammock BD Bioorg Med Chem Lett. 2013 Jul 1;23(13):3818-21. doi: 10.1016/j.bmcl.2013.04.083., Epub 2013 May 6. PMID:23684894<ref>PMID:23684894</ref>
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Description: Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant.
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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 4j03" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Epoxide hydrolase 3D structures|Epoxide hydrolase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Hammock BD]]
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[[Category: Hwang SH]]
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[[Category: Morisseau C]]
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[[Category: Newcomer ME]]
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[[Category: Pakhomova S]]

Current revision

Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant

PDB ID 4j03

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