6e59 - Revision history

OCA at 06:19, 11 October 2023

OCA — Wed, 11 Oct 2023 06:19:07 GMT

←Older revision		Revision as of 06:19, 11 October 2023
Line 3:		Line 3:
	<StructureSection load='6e59' size='340' side='right'caption='[[6e59]], [[Resolution\|resolution]] 3.40Å' scene=''>		<StructureSection load='6e59' size='340' side='right'caption='[[6e59]], [[Resolution\|resolution]] 3.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6e59]] 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=6E59 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6E59 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6e59]] 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=6E59 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6E59 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L76:1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine'>L76</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]] 3.4Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TACR1, NK1R, TAC1R ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L76:1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine'>L76</scene></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=6e59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e59 OCA], [~~http~~://pdbe.org/6e59 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6e59 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6e59 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6e59 ProSAT]</span></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=6e59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e59 OCA], [https://pdbe.org/6e59 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6e59 RCSB], [https://www.ebi.ac.uk/pdbsum/6e59 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6e59 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/NK1R_HUMAN NK1R_HUMAN]] This is a receptor for the tachykinin neuropeptide substance P. It is probably associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinity of this receptor to tachykinins is: substance P > substance K > neuromedin-K.	+	[https://www.uniprot.org/uniprot/Q9V2J8_PYRAB Q9V2J8_PYRAB] [https://www.uniprot.org/uniprot/NK1R_HUMAN NK1R_HUMAN] This is a receptor for the tachykinin neuropeptide substance P. It is probably associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinity of this receptor to tachykinins is: substance P > substance K > neuromedin-K.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Borek, D]]	+	[[Category: Pyrococcus abyssi GE5]]
-	[[Category: Chapman, K]]	+	[[Category: Borek D]]
-	[[Category: Clark, L]]	+	[[Category: Chapman K]]
-	[[Category: Rosenbaum~~, D M~~]]	+	[[Category: Clark L]]
-	[[Category: Shao, Z]]	+	[[Category: Rosenbaum DM]]
-	[[Category: Wang, J]]	+	[[Category: Shao Z]]
-	[[Category: Xu, Q]]	+	[[Category: Wang J]]
-	[[Category: Yin, J]]	+	[[Category: Xu Q]]
-	~~[[Category: G protein-coupled receptor fusion protein]]~~	+	[[Category: Yin J]]
-	~~[[Category: Signaling protein~~]]	+

OCA at 10:26, 18 December 2019

OCA — Wed, 18 Dec 2019 10:26:08 GMT

←Older revision		Revision as of 10:26, 18 December 2019
Line 1:		Line 1:

	==Crystal structure of the human NK1 tachykinin receptor==		==Crystal structure of the human NK1 tachykinin receptor==
-	<StructureSection load='6e59' size='340' side='right' caption='[[6e59]], [[Resolution\|resolution]] 3.40Å' scene=''>	+	<StructureSection load='6e59' size='340' side='right'caption='[[6e59]], [[Resolution\|resolution]] 3.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6e59]] 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=6E59 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E59 FirstGlance]. <br>		<table><tr><td colspan='2'>[[6e59]] 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=6E59 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E59 FirstGlance]. <br>
Line 24:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Borek, D]]		[[Category: Borek, D]]
	[[Category: Chapman, K]]		[[Category: Chapman, K]]

OCA at 08:38, 26 December 2018

OCA — Wed, 26 Dec 2018 08:38:32 GMT

←Older revision		Revision as of 08:38, 26 December 2018
Line 3:		Line 3:
	<StructureSection load='6e59' size='340' side='right' caption='[[6e59]], [[Resolution\|resolution]] 3.40Å' scene=''>		<StructureSection load='6e59' size='340' side='right' caption='[[6e59]], [[Resolution\|resolution]] 3.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6e59]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E59 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E59 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6e59]] 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=6E59 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E59 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L76:1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine'>L76</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L76:1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine'>L76</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TACR1, NK1R, TAC1R ([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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6e59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e59 OCA], [http://pdbe.org/6e59 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e59 RCSB], [http://www.ebi.ac.uk/pdbsum/6e59 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e59 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=6e59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e59 OCA], [http://pdbe.org/6e59 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e59 RCSB], [http://www.ebi.ac.uk/pdbsum/6e59 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e59 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/NK1R_HUMAN NK1R_HUMAN]] This is a receptor for the tachykinin neuropeptide substance P. It is probably associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinity of this receptor to tachykinins is: substance P > substance K > neuromedin-K.		[[http://www.uniprot.org/uniprot/NK1R_HUMAN NK1R_HUMAN]] This is a receptor for the tachykinin neuropeptide substance P. It is probably associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinity of this receptor to tachykinins is: substance P > substance K > neuromedin-K.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The NK1 tachykinin G-protein-coupled receptor (GPCR) binds substance P, the first neuropeptide to be discovered in mammals. Through activation of NK1R, substance P modulates a wide variety of physiological and disease processes including nociception, inflammation, and depression. Human NK1R (hNK1R) modulators have shown promise in clinical trials for migraine, depression, and emesis. However, the only currently approved drugs targeting hNK1R are inhibitors for chemotherapy-induced nausea and vomiting (CINV). To better understand the molecular basis of ligand recognition and selectivity, we solved the crystal structure of hNK1R bound to the inhibitor L760735, a close analog of the drug aprepitant. Our crystal structure reveals the basis for antagonist interaction in the deep and narrow orthosteric pocket of the receptor. We used our structure as a template for computational docking and molecular-dynamics simulations to dissect the energetic importance of binding pocket interactions and model the binding of aprepitant. The structure of hNK1R is a valuable tool in the further development of tachykinin receptor modulators for multiple clinical applications.
		+
		+	Crystal structure of the human NK1 tachykinin receptor.,Yin J, Chapman K, Clark LD, Shao Z, Borek D, Xu Q, Wang J, Rosenbaum DM Proc Natl Acad Sci U S A. 2018 Dec 11. pii: 1812717115. doi:, 10.1073/pnas.1812717115. PMID:30538204<ref>PMID:30538204</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6e59" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Borek, D]]		[[Category: Borek, D]]
	[[Category: Chapman, K]]		[[Category: Chapman, K]]

OCA at 06:45, 12 December 2018

OCA — Wed, 12 Dec 2018 06:45:02 GMT

←Older revision		Revision as of 06:45, 12 December 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6e59 is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of the human NK1 tachykinin receptor==
-		+	<StructureSection load='6e59' size='340' side='right' caption='[[6e59]], [[Resolution\|resolution]] 3.40Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6e59]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E59 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E59 FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L76:1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine'>L76</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<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=6e59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e59 OCA], [http://pdbe.org/6e59 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e59 RCSB], [http://www.ebi.ac.uk/pdbsum/6e59 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e59 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NK1R_HUMAN NK1R_HUMAN]] This is a receptor for the tachykinin neuropeptide substance P. It is probably associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinity of this receptor to tachykinins is: substance P > substance K > neuromedin-K.
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Borek, D]]
		+	[[Category: Chapman, K]]
		+	[[Category: Clark, L]]
		+	[[Category: Rosenbaum, D M]]
		+	[[Category: Shao, Z]]
		+	[[Category: Wang, J]]
		+	[[Category: Xu, Q]]
		+	[[Category: Yin, J]]
		+	[[Category: G protein-coupled receptor fusion protein]]
		+	[[Category: Signaling protein]]

OCA at 06:09, 17 October 2018

OCA — Wed, 17 Oct 2018 06:09:36 GMT

←Older revision		Revision as of 06:09, 17 October 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6e59 is ON HOLD	+	The entry 6e59 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA at 06:09, 10 October 2018

OCA — Wed, 10 Oct 2018 06:09:12 GMT

←Older revision		Revision as of 06:09, 10 October 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6e59 is ON HOLD ~~until Paper Publication~~	+	The entry 6e59 is ON HOLD

	Authors:		Authors:

OCA at 14:46, 15 August 2018

OCA — Wed, 15 Aug 2018 14:46:25 GMT

←Older revision		Revision as of 14:46, 15 August 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6e59 is ON HOLD	+	The entry 6e59 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6e59" [edit=sysop:move=sysop]

OCA — Wed, 25 Jul 2018 05:59:44 GMT

Protected "6e59" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:59, 25 July 2018

OCA: New page: '''Unreleased structure''' The entry 6e59 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 25 Jul 2018 05:59:43 GMT

New page: '''Unreleased structure''' The entry 6e59 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6e59 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]