6tpn: Difference between revisions
New page: '''Unreleased structure''' The entry 6tpn is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures |
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==Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution== | |||
<StructureSection load='6tpn' size='340' side='right'caption='[[6tpn]], [[Resolution|resolution]] 2.61Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6tpn]] 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=6TPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TPN 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]] 2.608Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=NU8:2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one'>NU8</scene>, <scene name='pdbligand=OLA:OLEIC+ACID'>OLA</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE'>YCM</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=6tpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tpn OCA], [https://pdbe.org/6tpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tpn RCSB], [https://www.ebi.ac.uk/pdbsum/6tpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tpn 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 == | |||
The orexin system, which consists of the two G protein-coupled receptors OX1 and OX2, activated by the neuropeptides OX-A and OX-B, is firmly established as a key regulator of behavioural arousal, sleep and wakefulness, and has been an area of intense research effort over the past two decades. X-ray structures of the receptors in complex with ten new antagonist ligands from diverse chemotypes are presented, which complement the existing structural information for the system and highlight the critical importance of lipophilic hotspots and water molecules for these peptidergic GPCR targets. Learnings from the structural information regarding the utility of pharmacophore models and how selectivity between OX1 and OX2 can be achieved are discussed. | |||
Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis.,Rappas M, Ali A, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Dore AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan B, Weir M, Christopher JA J Med Chem. 2019 Dec 20. doi: 10.1021/acs.jmedchem.9b01787. PMID:31860301<ref>PMID:31860301</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 6tpn" 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: Ali A]] | |||
[[Category: Bennett KA]] | |||
[[Category: Brown JD]] | |||
[[Category: Bucknell SJ]] | |||
[[Category: Christopher JA]] | |||
[[Category: Congreve M]] | |||
[[Category: Cooke RM]] | |||
[[Category: Cseke G]] | |||
[[Category: Dore AS]] | |||
[[Category: Errey JC]] | |||
[[Category: Jazayeri A]] | |||
[[Category: Marshall FH]] | |||
[[Category: Mason JS]] | |||
[[Category: Mould R]] | |||
[[Category: Patel JC]] | |||
[[Category: Rappas M]] | |||
[[Category: Tehan BG]] | |||
[[Category: Weir M]] | |||
[[Category: De Graaf C]] | |||