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6hll

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Revision as of 08:16, 3 April 2019

Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994

Structural highlights

6hll is a 1 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Gene:	TACR1, NK1R, TAC1R (HUMAN)
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[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.

Publication Abstract from PubMed

Neurokinins (or tachykinins) are peptides that modulate a wide variety of human physiology through the neurokinin G protein-coupled receptor family, implicated in a diverse array of pathological processes. Here we report high-resolution crystal structures of the human NK1 receptor (NK1R) bound to two small-molecule antagonist therapeutics - aprepitant and netupitant and the progenitor antagonist CP-99,994. The structures reveal the detailed interactions between clinically approved antagonists and NK1R, which induce a distinct receptor conformation resulting in an interhelical hydrogen-bond network that cross-links the extracellular ends of helices V and VI. Furthermore, the high-resolution details of NK1R bound to netupitant establish a structural rationale for the lack of basal activity in NK1R. Taken together, these co-structures provide a comprehensive structural basis of NK1R antagonism and will facilitate the design of new therapeutics targeting the neurokinin receptor family.

Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.,Schoppe J, Ehrenmann J, Klenk C, Rucktooa P, Schutz M, Dore AS, Pluckthun A Nat Commun. 2019 Jan 3;10(1):17. doi: 10.1038/s41467-018-07939-8. PMID:30604743^[1]

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

References

↑ Schoppe J, Ehrenmann J, Klenk C, Rucktooa P, Schutz M, Dore AS, Pluckthun A. Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun. 2019 Jan 3;10(1):17. doi: 10.1038/s41467-018-07939-8. PMID:30604743 doi:http://dx.doi.org/10.1038/s41467-018-07939-8

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

Proteopedia Page Contributors and Editors (what is this?)

OCA

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

@@ Line 1: / Line 1: @@
 ==Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994==
-<StructureSection load='6hll' size='340' side='right' caption='[[6hll]], [[Resolution|resolution]] 3.27&Aring;' scene=''>
+<StructureSection load='6hll' size='340' side='right'caption='[[6hll]], [[Resolution|resolution]] 3.27&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6hll]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HLL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HLL FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6hll]] 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=6HLL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HLL FirstGlance]. <br>
 </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GBK:(2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine'>GBK</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=6hll FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hll OCA], [http://pdbe.org/6hll PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hll RCSB], [http://www.ebi.ac.uk/pdbsum/6hll PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hll ProSAT]</span></td></tr>
 </table>
@@ Line 22: / Line 23: @@
 __TOC__
 </StructureSection>
+[[Category: Human]]
+[[Category: Large Structures]]
 [[Category: Dore, A S]]
 [[Category: Ehrenmann, J]]

6hll

From Proteopedia

Revision as of 08:16, 3 April 2019

Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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