5klg - Revision history

OCA at 10:03, 27 September 2023

2023-09-27T10:03:10Z

←Older revision		Revision as of 10:03, 27 September 2023
Line 3:		Line 3:
	<StructureSection load='5klg' size='340' side='right'caption='[[5klg]], [[Resolution\|resolution]] 3.30Å' scene=''>		<StructureSection load='5klg' size='340' side='right'caption='[[5klg]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5klg]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Arcb4 Arcb4~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KLG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5KLG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5klg]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Aliarcobacter_butzleri_RM4018 Aliarcobacter butzleri RM4018]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KLG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5KLG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6UC:O3-ETHYL+O5-METHYL+(4R)-4-(2-BROMOPHENYL)-2-[2-(DIMETHYLAMINO)ETHOXYMETHYL]-6-METHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE'>6UC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MC3:1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE'>MC3</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]] 3.3Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Abu_1752 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=367737 ARCB4])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6UC:O3-ETHYL+O5-METHYL+(4R)-4-(2-BROMOPHENYL)-2-[2-(DIMETHYLAMINO)ETHOXYMETHYL]-6-METHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE'>6UC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MC3:1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE'>MC3</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=5klg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5klg OCA], [~~http~~://pdbe.org/5klg PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5klg RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5klg PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5klg 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=5klg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5klg OCA], [https://pdbe.org/5klg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5klg RCSB], [https://www.ebi.ac.uk/pdbsum/5klg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5klg ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A8EVM5_ALIB4 A8EVM5_ALIB4]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Arcb4~~]]	+	[[Category: Aliarcobacter butzleri RM4018]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Catterall~~, W A~~]]	+	[[Category: Catterall WA]]
-	[[Category: EL-Din~~, T M.Gamal~~]]	+	[[Category: Gamal EL-Din TM]]
-	[[Category: Pryde~~, D C~~]]	+	[[Category: Pryde DC]]
-	[[Category: Scheuer, T]]	+	[[Category: Scheuer T]]
-	[[Category: Swanson~~, T M~~]]	+	[[Category: Swanson TM]]
-	[[Category: Tang, L]]	+	[[Category: Tang L]]
-	[[Category: Zheng, N]]	+	[[Category: Zheng N]]
-	~~[[Category: Transport protein]]~~	+
-	~~[[Category: Voltage-gated calcium channel~~]]	+

OCA at 09:13, 4 December 2019

2019-12-04T09:13:59Z

←Older revision		Revision as of 09:13, 4 December 2019
Line 1:		Line 1:

	==Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811==		==Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811==
-	<StructureSection load='5klg' size='340' side='right' caption='[[5klg]], [[Resolution\|resolution]] 3.30Å' scene=''>	+	<StructureSection load='5klg' size='340' side='right'caption='[[5klg]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5klg]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KLG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KLG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5klg]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Arcb4 Arcb4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KLG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KLG FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6UC:O3-ETHYL+O5-METHYL+(4R)-4-(2-BROMOPHENYL)-2-[2-(DIMETHYLAMINO)ETHOXYMETHYL]-6-METHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE'>6UC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MC3:1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE'>MC3</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6UC:O3-ETHYL+O5-METHYL+(4R)-4-(2-BROMOPHENYL)-2-[2-(DIMETHYLAMINO)ETHOXYMETHYL]-6-METHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE'>6UC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MC3:1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE'>MC3</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Abu_1752 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=367737 ARCB4])</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=5klg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5klg OCA], [http://pdbe.org/5klg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5klg RCSB], [http://www.ebi.ac.uk/pdbsum/5klg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5klg 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=5klg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5klg OCA], [http://pdbe.org/5klg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5klg RCSB], [http://www.ebi.ac.uk/pdbsum/5klg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5klg ProSAT]</span></td></tr>
	</table>		</table>
Line 20:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Arcb4]]
		+	[[Category: Large Structures]]
	[[Category: Catterall, W A]]		[[Category: Catterall, W A]]
	[[Category: EL-Din, T M.Gamal]]		[[Category: EL-Din, T M.Gamal]]

OCA at 13:57, 10 September 2016

2016-09-10T13:57:57Z

←Older revision		Revision as of 13:57, 10 September 2016
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5klg]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KLG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KLG FirstGlance]. <br>		<table><tr><td colspan='2'>[[5klg]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KLG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KLG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6UC:O3-~~ethyl~~+O5-~~methyl~~+(4R)-4-(2-~~bromophenyl~~)-2-[2-(~~dimethylamino~~)~~ethoxymethyl~~]-6-~~methyl~~-1,4-~~dihydropyridine~~-3,5-~~dicarboxylate~~'>6UC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MC3:1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE'>MC3</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6UC:O3-ETHYL+O5-METHYL+(4R)-4-(2-BROMOPHENYL)-2-[2-(DIMETHYLAMINO)ETHOXYMETHYL]-6-METHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE'>6UC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MC3:1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE'>MC3</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=5klg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5klg OCA], [http://pdbe.org/5klg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5klg RCSB], [http://www.ebi.ac.uk/pdbsum/5klg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5klg 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=5klg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5klg OCA], [http://pdbe.org/5klg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5klg RCSB], [http://www.ebi.ac.uk/pdbsum/5klg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5klg ProSAT]</span></td></tr>
	</table>		</table>

OCA at 05:22, 9 September 2016

2016-09-09T05:22:43Z

←Older revision		Revision as of 05:22, 9 September 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5klg is ~~ON HOLD until Paper~~ Publication	+	==Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811==
		+	<StructureSection load='5klg' size='340' side='right' caption='[[5klg]], [[Resolution\|resolution]] 3.30Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5klg]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KLG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KLG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6UC:O3-ethyl+O5-methyl+(4R)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate'>6UC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MC3:1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE'>MC3</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=5klg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5klg OCA], [http://pdbe.org/5klg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5klg RCSB], [http://www.ebi.ac.uk/pdbsum/5klg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5klg ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Ca2+ antagonist drugs are widely used in therapy of cardiovascular disorders. Three chemical classes of drugs bind to three separate, but allosterically interacting, receptor sites on CaV1.2 channels, the most prominent voltage-gated Ca2+ (CaV) channel type in myocytes in cardiac and vascular smooth muscle. The 1,4-dihydropyridines are used primarily for treatment of hypertension and angina pectoris and are thought to act as allosteric modulators of voltage-dependent Ca2+ channel activation, whereas phenylalkylamines and benzothiazepines are used primarily for treatment of cardiac arrhythmias and are thought to physically block the pore. The structural basis for the different binding, action, and therapeutic uses of these drugs remains unknown. Here we present crystallographic and functional analyses of drug binding to the bacterial homotetrameric model CaV channel CaVAb, which is inhibited by dihydropyridines and phenylalkylamines with nanomolar affinity in a state-dependent manner. The binding site for amlodipine and other dihydropyridines is located on the external, lipid-facing surface of the pore module, positioned at the interface of two subunits. Dihydropyridine binding allosterically induces an asymmetric conformation of the selectivity filter, in which partially dehydrated Ca2+ interacts directly with one subunit and blocks the pore. In contrast, the phenylalkylamine Br-verapamil binds in the central cavity of the pore on the intracellular side of the selectivity filter, physically blocking the ion-conducting pathway. Structure-based mutations of key amino-acid residues confirm drug binding at both sites. Our results define the structural basis for binding of dihydropyridines and phenylalkylamines at their distinct receptor sites on CaV channels and offer key insights into their fundamental mechanisms of action and differential therapeutic uses in cardiovascular diseases.

-	~~Authors:~~ Tang, L., ~~Gamal EL~~-Din~~, T.M.~~, Swanson~~, T.M.~~, Pryde~~, D.C.~~, Scheuer, T., Zheng, N., Catterall~~, W~~.A.	+	Structural basis for inhibition of a voltage-gated Ca2+ channel by Ca2+ antagonist drugs.,Tang L, El-Din TM, Swanson TM, Pryde DC, Scheuer T, Zheng N, Catterall WA Nature. 2016 Aug 24;537(7618):117-121. doi: 10.1038/nature19102. PMID:27556947<ref>PMID:27556947</ref>

-	~~Description: Structure~~ of ~~CavAb(W195Y) in complex with Br~~-~~dihydropyridine derivative UK~~-~~59811~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5klg" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Catterall, W A]]
		+	[[Category: EL-Din, T M.Gamal]]
		+	[[Category: Pryde, D C]]
	[[Category: Scheuer, T]]		[[Category: Scheuer, T]]
-	[[Category: ~~Gamal El-Din~~, T.M]]	+	[[Category: Swanson, T M]]
	[[Category: Tang, L]]		[[Category: Tang, L]]
-	[[Category: Pryde, D.C]]
-	[[Category: Swanson, T.M]]
-	[[Category: Catterall, W.A]]
	[[Category: Zheng, N]]		[[Category: Zheng, N]]
		+	[[Category: Transport protein]]
		+	[[Category: Voltage-gated calcium channel]]

OCA at 12:31, 26 July 2016

2016-07-26T12:31:58Z

←Older revision		Revision as of 12:31, 26 July 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5klg is ON HOLD	+	The entry 5klg is ON HOLD until Paper Publication

	Authors: Tang, L., Gamal EL-Din, T.M., Swanson, T.M., Pryde, D.C., Scheuer, T., Zheng, N., Catterall, W.A.		Authors: Tang, L., Gamal EL-Din, T.M., Swanson, T.M., Pryde, D.C., Scheuer, T., Zheng, N., Catterall, W.A.

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

2016-07-13T00:31:36Z

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

←Older revision

Revision as of 00:31, 13 July 2016

OCA: New page: '''Unreleased structure''' The entry 5klg is ON HOLD Authors: Tang, L., Gamal EL-Din, T.M., Swanson, T.M., Pryde, D.C., Scheuer, T., Zheng, N., Catterall, W.A. Description: Structure o...

2016-07-13T00:31:34Z

New page: '''Unreleased structure''' The entry 5klg is ON HOLD Authors: Tang, L., Gamal EL-Din, T.M., Swanson, T.M., Pryde, D.C., Scheuer, T., Zheng, N., Catterall, W.A. Description: Structure o...

New page

'''Unreleased structure'''

The entry 5klg is ON HOLD

Authors: Tang, L., Gamal EL-Din, T.M., Swanson, T.M., Pryde, D.C., Scheuer, T., Zheng, N., Catterall, W.A.

Description: Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811
[[Category: Unreleased Structures]]
[[Category: Scheuer, T]]
[[Category: Gamal El-Din, T.M]]
[[Category: Tang, L]]
[[Category: Pryde, D.C]]
[[Category: Swanson, T.M]]
[[Category: Catterall, W.A]]
[[Category: Zheng, N]]