4hai: Difference between revisions

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-[[Image:4hai.jpg|left|200px]]
-{{STRUCTURE_4hai|  PDB=4hai  |  SCENE=  }}
+==Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.==
+<StructureSection load='4hai' size='340' side='right'caption='[[4hai]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4hai]] 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=4HAI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HAI 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]] 2.55&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=I23:N-CYCLOHEPTYL-1-[(2,4,6-TRIMETHYLPHENYL)SULFONYL]PIPERIDINE-4-CARBOXAMIDE'>I23</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=4hai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hai OCA], [https://pdbe.org/4hai PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hai RCSB], [https://www.ebi.ac.uk/pdbsum/4hai PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hai ProSAT]</span></td></tr>
+</table>
+== Function ==
+[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>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+A series of potent amide non-urea inhibitors of soluble epoxide hydrolase (sEH) is disclosed. The inhibition of soluble epoxide hydrolase leads to elevated levels of epoxyeicosatrienoic acids (EETs), and thus inhibitors of sEH represent one of a novel approach to the development of vasodilatory and anti-inflammatory drugs. Structure-activities studies guided optimization of a lead compound, identified through high-throughput screening, gave rise to sub-nanomolar inhibitors of human sEH with stability in human liver microsomal assay suitable for preclinical development.
-===Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.===
+Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors.,Pecic S, Pakhomova S, Newcomer ME, Morisseau C, Hammock BD, Zhu Z, Rinderspacher A, Deng SX Bioorg Med Chem Lett. 2013 Jan 15;23(2):417-21. doi: 10.1016/j.bmcl.2012.11.084. , Epub 2012 Dec 1. PMID:23237835<ref>PMID:23237835</ref>
-{{ABSTRACT_PUBMED_23237835}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 4hai" style="background-color:#fffaf0;"></div>
-==About this Structure==
+==See Also==
-[[4hai]] is a 1 chain structure with 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=4HAI OCA].
+*[[Epoxide hydrolase 3D structures|Epoxide hydrolase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Deng, S.]]
+[[Category: Large Structures]]
-[[Category: Hammock, B D.]]
+[[Category: Deng S]]
-[[Category: Morisseau, C.]]
+[[Category: Hammock BD]]
-[[Category: Newcomer, M E.]]
+[[Category: Morisseau C]]
-[[Category: Pakhomova, S.]]
+[[Category: Newcomer ME]]
-[[Category: Pecic, S.]]
+[[Category: Pakhomova S]]
-[[Category: Zhu, Z.]]
+[[Category: Pecic S]]
-[[Category: Domain-swapped dimer]]
+[[Category: Zhu Z]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]