6tpn

From Proteopedia

(Difference between revisions)

Current revision

Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution

Structural highlights

6tpn is a 1 chain structure with sequence from Homo sapiens and Pyrococcus abyssi GE5. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.608Å
Ligands:	, , , ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q9V2J8_PYRAB OX2R_HUMAN Nonselective, high-affinity receptor for both orexin-A and orexin-B neuropeptides.

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^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ 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. Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis. J Med Chem. 2019 Dec 20. doi: 10.1021/acs.jmedchem.9b01787. PMID:31860301 doi:http://dx.doi.org/10.1021/acs.jmedchem.9b01787

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 See Also
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/6tpn"

@@ Line 3: / Line 3: @@
 <StructureSection load='6tpn' size='340' side='right'caption='[[6tpn]], [[Resolution|resolution]] 2.61&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6tpn]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. 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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6TPN FirstGlance]. <br>
+<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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.608&#8491;</td></tr>
-<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE'>YCM</scene></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='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">HCRTR2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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>
-<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=6tpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tpn OCA], [http://pdbe.org/6tpn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6tpn RCSB], [http://www.ebi.ac.uk/pdbsum/6tpn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6tpn ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/OX2R_HUMAN OX2R_HUMAN]] Nonselective, high-affinity receptor for both orexin-A and orexin-B neuropeptides.
+[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 ==
@@ Line 20: / Line 19: @@
 </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: Human]]
+[[Category: Homo sapiens]]
 [[Category: Large Structures]]
-[[Category: Ali, A]]
+[[Category: Pyrococcus abyssi GE5]]
-[[Category: Bennett, K A]]
+[[Category: Ali A]]
-[[Category: Brown, J D]]
+[[Category: Bennett KA]]
-[[Category: Bucknell, S J]]
+[[Category: Brown JD]]
-[[Category: Christopher, J A]]
+[[Category: Bucknell SJ]]
-[[Category: Congreve, M]]
+[[Category: Christopher JA]]
-[[Category: Cooke, R M]]
+[[Category: Congreve M]]
-[[Category: Cseke, G]]
+[[Category: Cooke RM]]
-[[Category: Dore, A S]]
+[[Category: Cseke G]]
-[[Category: Errey, J C]]
+[[Category: Dore AS]]
-[[Category: Graaf, C de]]
+[[Category: Errey JC]]
-[[Category: Jazayeri, A]]
+[[Category: Jazayeri A]]
-[[Category: Marshall, F H]]
+[[Category: Marshall FH]]
-[[Category: Mason, J S]]
+[[Category: Mason JS]]
-[[Category: Mould, R]]
+[[Category: Mould R]]
-[[Category: Patel, J C]]
+[[Category: Patel JC]]
-[[Category: Rappas, M]]
+[[Category: Rappas M]]
-[[Category: Tehan, B G]]
+[[Category: Tehan BG]]
-[[Category: Weir, M]]
+[[Category: Weir M]]
-[[Category: Gpcr]]
+[[Category: De Graaf C]]
-[[Category: Membrane protein]]

6tpn

From Proteopedia

Current revision

Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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