5ws3: Difference between revisions

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-'''Unreleased structure'''
-The entry 5ws3 is ON HOLD  until Paper Publication
+==Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA==
+<StructureSection load='5ws3' size='340' side='right'caption='[[5ws3]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5ws3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Pyrococcus_abyssi_GE5 Pyrococcus abyssi GE5]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WS3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WS3 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]] 2.3&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=7MA:~{N}-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-~{N}-(pyridin-3-ylmethyl)ethanamide'>7MA</scene>, <scene name='pdbligand=OLA:OLEIC+ACID'>OLA</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=5ws3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ws3 OCA], [https://pdbe.org/5ws3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ws3 RCSB], [https://www.ebi.ac.uk/pdbsum/5ws3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ws3 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q9V2J8_PYRAB Q9V2J8_PYRAB] [https://www.uniprot.org/uniprot/OX2R_HUMAN OX2R_HUMAN] Nonselective, high-affinity receptor for both orexin-A and orexin-B neuropeptides.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Orexin peptides in the brain regulate physiological functions such as the sleep-wake cycle, and are thus drug targets for the treatment of insomnia. Using serial femtosecond crystallography and multi-crystal data collection with a synchrotron light source, we determined structures of human orexin 2 receptor in complex with the subtype-selective antagonist EMPA (N-ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-pyridin-3-ylme thyl-acetamide) at 2.30-A and 1.96-A resolution. In comparison with the non-subtype-selective antagonist suvorexant, EMPA contacted fewer residues through hydrogen bonds at the orthosteric site, explaining the faster dissociation rate. Comparisons among these OX2R structures in complex with selective antagonists and previously determined OX1R/OX2R structures bound to non-selective antagonists revealed that the residue at positions 2.61 and 3.33 were critical for the antagonist selectivity in OX2R. The importance of these residues for binding selectivity to OX2R was also revealed by molecular dynamics simulation. These results should facilitate the development of antagonists for orexin receptors.
-Authors:
+Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA.,Suno R, Kimura KT, Nakane T, Yamashita K, Wang J, Fujiwara T, Yamanaka Y, Im D, Horita S, Tsujimoto H, Tawaramoto MS, Hirokawa T, Nango E, Tono K, Kameshima T, Hatsui T, Joti Y, Yabashi M, Shimamoto K, Yamamoto M, Rosenbaum DM, Iwata S, Shimamura T, Kobayashi T Structure. 2017 Nov 27. pii: S0969-2126(17)30358-1. doi:, 10.1016/j.str.2017.11.005. PMID:29225076<ref>PMID:29225076</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 5ws3" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Orexin and Orexin receptor|Orexin and Orexin receptor]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Pyrococcus abyssi GE5]]
+[[Category: Fujiwara T]]
+[[Category: Hatsui T]]
+[[Category: Hirokawa T]]
+[[Category: Horita S]]
+[[Category: Im D]]
+[[Category: Iwata S]]
+[[Category: Joti Y]]
+[[Category: Kameshima T]]
+[[Category: Kimura K]]
+[[Category: Kobayashi T]]
+[[Category: Nakane T]]
+[[Category: Nango E]]
+[[Category: Rosenbaum DM]]
+[[Category: Sasanuma M]]
+[[Category: Shimamoto K]]
+[[Category: Shimamura T]]
+[[Category: Suno R]]
+[[Category: Tono K]]
+[[Category: Tsujimoto H]]
+[[Category: Wang J]]
+[[Category: Yabashi M]]
+[[Category: Yamamoto M]]
+[[Category: Yamanaka Y]]
+[[Category: Yamashita K]]