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6hlo

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Current revision (11:32, 24 January 2024) (edit) (undo)
 
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==Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant==
==Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant==
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<StructureSection load='6hlo' size='340' side='right' caption='[[6hlo]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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<StructureSection load='6hlo' size='340' side='right'caption='[[6hlo]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6hlo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HLO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HLO FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6hlo]] 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=6HLO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6HLO FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=GBQ:5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one'>GBQ</scene>, <scene name='pdbligand=OLA:OLEIC+ACID'>OLA</scene>, <scene name='pdbligand=OLC:(2R)-2,3-DIHYDROXYPROPYL+(9Z)-OCTADEC-9-ENOATE'>OLC</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4&#8491;</td></tr>
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<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>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=GBQ:5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one'>GBQ</scene>, <scene name='pdbligand=OLA:OLEIC+ACID'>OLA</scene>, <scene name='pdbligand=OLC:(2R)-2,3-DIHYDROXYPROPYL+(9Z)-OCTADEC-9-ENOATE'>OLC</scene>, <scene name='pdbligand=YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE'>YCM</scene></td></tr>
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<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=6hlo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hlo OCA], [http://pdbe.org/6hlo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hlo RCSB], [http://www.ebi.ac.uk/pdbsum/6hlo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hlo ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6hlo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hlo OCA], [https://pdbe.org/6hlo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6hlo RCSB], [https://www.ebi.ac.uk/pdbsum/6hlo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6hlo ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[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.
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[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 ==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Dore, A S]]
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[[Category: Homo sapiens]]
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[[Category: Ehrenmann, J]]
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[[Category: Large Structures]]
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[[Category: Klenk, C]]
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[[Category: Pyrococcus abyssi GE5]]
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[[Category: Pluckthun, A]]
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[[Category: Dore AS]]
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[[Category: Rucktooa, P]]
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[[Category: Ehrenmann J]]
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[[Category: Schoppe, J]]
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[[Category: Klenk C]]
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[[Category: Schutz, M]]
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[[Category: Pluckthun A]]
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[[Category: 7-tm]]
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[[Category: Rucktooa P]]
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[[Category: Gpcr]]
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[[Category: Schoppe J]]
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[[Category: Membrane protein]]
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[[Category: Schutz M]]
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[[Category: Signalling protein]]
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Current revision

Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant

PDB ID 6hlo

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