5xr8 - Revision history

OCA at 08:11, 22 November 2023

OCA — Wed, 22 Nov 2023 08:11:06 GMT

←Older revision		Revision as of 08:11, 22 November 2023
Line 3:		Line 3:
	<StructureSection load='5xr8' size='340' side='right'caption='[[5xr8]], [[Resolution\|resolution]] 2.95Å' scene=''>		<StructureSection load='5xr8' size='340' side='right'caption='[[5xr8]], [[Resolution\|resolution]] 2.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5xr8]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Desvh Desvh~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XR8 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5XR8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5xr8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Desulfovibrio_vulgaris_str._Hildenborough Desulfovibrio vulgaris str. Hildenborough] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XR8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5XR8 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8D0:(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol'>8D0</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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]] 2.95Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CNR1, CNR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=882 DESVH])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8D0:(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol'>8D0</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=5xr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xr8 OCA], [~~http~~://pdbe.org/5xr8 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5xr8 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5xr8 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5xr8 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=5xr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xr8 OCA], [https://pdbe.org/5xr8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5xr8 RCSB], [https://www.ebi.ac.uk/pdbsum/5xr8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5xr8 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CNR1_HUMAN CNR1_HUMAN]] Involved in cannabinoid-induced CNS effects. Acts by inhibiting adenylate cyclase. Could be a receptor for anandamide. Inhibits L-type Ca(2+) channel current. Isoform 2 and isoform 3 have altered ligand binding.<ref>PMID:15620723</ref>	+	[https://www.uniprot.org/uniprot/FLAV_DESVH FLAV_DESVH] Low-potential electron donor to a number of redox enzymes.[https://www.uniprot.org/uniprot/CNR1_HUMAN CNR1_HUMAN] Involved in cannabinoid-induced CNS effects. Acts by inhibiting adenylate cyclase. Could be a receptor for anandamide. Inhibits L-type Ca(2+) channel current. Isoform 2 and isoform 3 have altered ligand binding.<ref>PMID:15620723</ref>
	<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: ~~Desvh~~]]	+	[[Category: Desulfovibrio vulgaris str. Hildenborough]]
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bohn~~, L M~~]]	+	[[Category: Bohn LM]]
-	[[Category: Ding, K]]	+	[[Category: Ding K]]
-	[[Category: Han~~, G W~~]]	+	[[Category: Han GW]]
-	[[Category: Hanson~~, M A~~]]	+	[[Category: Hanson MA]]
-	[[Category: Ho~~, J H~~]]	+	[[Category: Ho JH]]
-	[[Category: Hua, T]]	+	[[Category: Hua T]]
-	[[Category: Korde, A]]	+	[[Category: Korde A]]
-	[[Category: Laprairie~~, R B~~]]	+	[[Category: Laprairie RB]]
-	[[Category: Li, X]]	+	[[Category: Li X]]
-	[[Category: Liu, H]]	+	[[Category: Liu H]]
-	[[Category: Liu~~, Z J~~]]	+	[[Category: Liu ZJ]]
-	[[Category: Makriyannis, A]]	+	[[Category: Makriyannis A]]
-	[[Category: Nikas~~, P S~~]]	+	[[Category: Nikas PS]]
-	[[Category: Pu, M]]	+	[[Category: Pu M]]
-	[[Category: Qu, L]]	+	[[Category: Qu L]]
-	[[Category: Shan, J]]	+	[[Category: Shan J]]
-	[[Category: Stevens~~, R C~~]]	+	[[Category: Stevens RC]]
-	[[Category: Vemuri, K]]	+	[[Category: Vemuri K]]
-	[[Category: Wu, Y]]	+	[[Category: Wu Y]]
-	[[Category: Zhao, S]]	+	[[Category: Zhao S]]
-	~~[[Category: Human g protein-coupled receptor]]~~	+
-	~~[[Category: Lipidic cubic phase]]~~	+
-	~~[[Category: Membrane protein]]~~	+
-	~~[[Category: Signaling protein]]~~	+
-	~~[[Category: Stabilizing agonist~~]]	+

OCA at 16:29, 22 January 2020

OCA — Wed, 22 Jan 2020 16:29:59 GMT

←Older revision		Revision as of 16:29, 22 January 2020
Line 1:		Line 1:

	==Crystal structure of the human CB1 in complex with agonist AM841==		==Crystal structure of the human CB1 in complex with agonist AM841==
-	<StructureSection load='5xr8' size='340' side='right' caption='[[5xr8]], [[Resolution\|resolution]] 2.95Å' scene=''>	+	<StructureSection load='5xr8' size='340' side='right'caption='[[5xr8]], [[Resolution\|resolution]] 2.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5xr8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Desvh Desvh]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XR8 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5xr8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Desvh Desvh]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XR8 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8D0:(~~6aR~~,9R,~~10aR~~)-3-(8-~~azanyl~~-2-methyl-octan-2-yl~~)-9-(hydroxymethyl~~)-6,6-dimethyl-6a,7,8,9,10,~~10a~~-hexahydrobenzo[c]chromen-1-ol'>8D0</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8D0:(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol'>8D0</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CNR1, CNR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=882 DESVH])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CNR1, CNR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=882 DESVH])</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=5xr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xr8 OCA], [http://pdbe.org/5xr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5xr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xr8 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=5xr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xr8 OCA], [http://pdbe.org/5xr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5xr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xr8 ProSAT]</span></td></tr>
Line 24:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Desvh]]		[[Category: Desvh]]
		+	[[Category: Large Structures]]
	[[Category: Bohn, L M]]		[[Category: Bohn, L M]]
	[[Category: Ding, K]]		[[Category: Ding, K]]

OCA at 10:28, 8 November 2017

OCA — Wed, 08 Nov 2017 10:28:23 GMT

←Older revision		Revision as of 10:28, 8 November 2017
Line 3:		Line 3:
	<StructureSection load='5xr8' size='340' side='right' caption='[[5xr8]], [[Resolution\|resolution]] 2.95Å' scene=''>		<StructureSection load='5xr8' size='340' side='right' caption='[[5xr8]], [[Resolution\|resolution]] 2.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5xr8]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XR8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5xr8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Desvh Desvh]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XR8 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8D0:(6aR,9R,10aR)-3-(8-azanyl-2-methyl-octan-2-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol'>8D0</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8D0:(6aR,9R,10aR)-3-(8-azanyl-2-methyl-octan-2-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol'>8D0</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CNR1, CNR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=882 DESVH])</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=5xr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xr8 OCA], [http://pdbe.org/5xr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5xr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xr8 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=5xr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xr8 OCA], [http://pdbe.org/5xr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5xr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xr8 ProSAT]</span></td></tr>
	</table>		</table>
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Desvh]]
	[[Category: Bohn, L M]]		[[Category: Bohn, L M]]
	[[Category: Ding, K]]		[[Category: Ding, K]]

OCA: Protected "5xr8" [edit=sysop:move=sysop]

OCA — Wed, 09 Aug 2017 09:03:00 GMT

Protected "5xr8" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:03, 9 August 2017

OCA: New page: ==Crystal structure of the human CB1 in complex with agonist AM841==
OCA — Wed, 09 Aug 2017 09:02:58 GMT

New page: ==Crystal structure of the human CB1 in complex with agonist AM841== <StructureSection load='5xr8' size='340' side='right' caption='5xr8, resolution 2.95Å' scene=...

New page

==Crystal structure of the human CB1 in complex with agonist AM841==
<StructureSection load='5xr8' size='340' side='right' caption='[[5xr8]], [[Resolution|resolution]] 2.95Å' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5xr8]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XR8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XR8 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8D0:(6aR,9R,10aR)-3-(8-azanyl-2-methyl-octan-2-yl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol'>8D0</scene>, <scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=5xr8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xr8 OCA], [http://pdbe.org/5xr8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xr8 RCSB], [http://www.ebi.ac.uk/pdbsum/5xr8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xr8 ProSAT]</span></td></tr>
</table>
== Function ==
[[http://www.uniprot.org/uniprot/CNR1_HUMAN CNR1_HUMAN]] Involved in cannabinoid-induced CNS effects. Acts by inhibiting adenylate cyclase. Could be a receptor for anandamide. Inhibits L-type Ca(2+) channel current. Isoform 2 and isoform 3 have altered ligand binding.<ref>PMID:15620723</ref>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The cannabinoid receptor 1 (CB1) is the principal target of the psychoactive constituent of marijuana, the partial agonist Delta9-tetrahydrocannabinol (Delta9-THC). Here we report two agonist-bound crystal structures of human CB1 in complex with a tetrahydrocannabinol (AM11542) and a hexahydrocannabinol (AM841) at 2.80 A and 2.95 A resolution, respectively. The two CB1-agonist complexes reveal important conformational changes in the overall structure, relative to the antagonist-bound state, including a 53% reduction in the volume of the ligand-binding pocket and an increase in the surface area of the G-protein-binding region. In addition, a 'twin toggle switch' of Phe2003.36 and Trp3566.48 (superscripts denote Ballesteros-Weinstein numbering) is experimentally observed and appears to be essential for receptor activation. The structures reveal important insights into the activation mechanism of CB1 and provide a molecular basis for predicting the binding modes of Delta9-THC, and endogenous and synthetic cannabinoids. The plasticity of the binding pocket of CB1 seems to be a common feature among certain class A G-protein-coupled receptors. These findings should inspire the design of chemically diverse ligands with distinct pharmacological properties.

Crystal structures of agonist-bound human cannabinoid receptor CB1.,Hua T, Vemuri K, Nikas SP, Laprairie RB, Wu Y, Qu L, Pu M, Korde A, Jiang S, Ho JH, Han GW, Ding K, Li X, Liu H, Hanson MA, Zhao S, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ Nature. 2017 Jul 27;547(7664):468-471. doi: 10.1038/nature23272. Epub 2017 Jul 5. PMID:28678776<ref>PMID:28678776</ref>

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5xr8" style="background-color:#fffaf0;"></div>
== References ==
<references/>
TOC
</StructureSection>
[[Category: Bohn, L M]]
[[Category: Ding, K]]
[[Category: Han, G W]]
[[Category: Hanson, M A]]
[[Category: Ho, J H]]
[[Category: Hua, T]]
[[Category: Korde, A]]
[[Category: Laprairie, R B]]
[[Category: Li, X]]
[[Category: Liu, H]]
[[Category: Liu, Z J]]
[[Category: Makriyannis, A]]
[[Category: Nikas, P S]]
[[Category: Pu, M]]
[[Category: Qu, L]]
[[Category: Shan, J]]
[[Category: Stevens, R C]]
[[Category: Vemuri, K]]
[[Category: Wu, Y]]
[[Category: Zhao, S]]
[[Category: Human g protein-coupled receptor]]
[[Category: Lipidic cubic phase]]
[[Category: Membrane protein]]
[[Category: Signaling protein]]
[[Category: Stabilizing agonist]]