6keb - Revision history

OCA at 19:27, 29 May 2024

OCA — Wed, 29 May 2024 19:27:25 GMT

←Older revision		Revision as of 19:27, 29 May 2024
Line 3:		Line 3:
	<StructureSection load='6keb' size='340' side='right'caption='[[6keb]], [[Resolution\|resolution]] 3.20Å' scene=''>		<StructureSection load='6keb' size='340' side='right'caption='[[6keb]], [[Resolution\|resolution]] 3.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6keb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"aliarcobacter_butzleri"_corrig._(kiehlbauch_et_al._1991)_perez-cataluna_et_al._2019 "aliarcobacter~~ butzleri~~" corrig. (kiehlbauch et al. 1991) perez-cataluna et al. 2019~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KEB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6KEB FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6keb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Aliarcobacter_butzleri Aliarcobacter butzleri]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KEB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6KEB FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=D6C:[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]+ethanoate'>D6C</scene>, <scene name='pdbligand=PX4:1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE'>PX4</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]] 3.2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=D6C:[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]+ethanoate'>D6C</scene>, <scene name='pdbligand=PX4:1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE'>PX4</scene></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=6keb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6keb OCA], [https://pdbe.org/6keb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6keb RCSB], [https://www.ebi.ac.uk/pdbsum/6keb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6keb 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=6keb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6keb OCA], [https://pdbe.org/6keb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6keb RCSB], [https://www.ebi.ac.uk/pdbsum/6keb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6keb 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 20:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aliarcobacter butzleri]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Tang, L]]	+	[[Category: Tang L]]
-	~~[[Category: Membrane protein]]~~	+
-	~~[[Category: Tetrameric]]~~	+
-	~~[[Category: Transport protein]]~~	+
-	~~[[Category: Voltage-gated calcium channel block]]~~	+
-	~~[[Category: Voltage-gated ion channel~~]]	+

OCA at 11:44, 23 March 2022

OCA — Wed, 23 Mar 2022 11:44:18 GMT

←Older revision		Revision as of 11:44, 23 March 2022
Line 3:		Line 3:
	<StructureSection load='6keb' size='340' side='right'caption='[[6keb]], [[Resolution\|resolution]] 3.20Å' scene=''>		<StructureSection load='6keb' size='340' side='right'caption='[[6keb]], [[Resolution\|resolution]] 3.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6keb]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KEB OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6KEB FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6keb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/"aliarcobacter_butzleri"_corrig._(kiehlbauch_et_al._1991)_perez-cataluna_et_al._2019 "aliarcobacter butzleri" corrig. (kiehlbauch et al. 1991) perez-cataluna et al. 2019]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KEB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6KEB FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=D6C:[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]+ethanoate'>D6C</scene>, <scene name='pdbligand=PX4:1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE'>PX4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=D6C:[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]+ethanoate'>D6C</scene>, <scene name='pdbligand=PX4:1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE'>PX4</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=6keb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6keb OCA], [~~http~~://pdbe.org/6keb PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6keb RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6keb PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6keb 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=6keb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6keb OCA], [https://pdbe.org/6keb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6keb RCSB], [https://www.ebi.ac.uk/pdbsum/6keb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6keb ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 06:51, 23 October 2019

OCA — Wed, 23 Oct 2019 06:51:04 GMT

←Older revision		Revision as of 06:51, 23 October 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6keb is ~~ON HOLD until Paper~~ Publication	+	==Structure basis for Diltiazem block of a voltage-gated calcium channel==
		+	<StructureSection load='6keb' size='340' side='right'caption='[[6keb]], [[Resolution\|resolution]] 3.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6keb]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6KEB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6KEB FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=D6C:[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]+ethanoate'>D6C</scene>, <scene name='pdbligand=PX4:1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE'>PX4</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=6keb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6keb OCA], [http://pdbe.org/6keb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6keb RCSB], [http://www.ebi.ac.uk/pdbsum/6keb PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6keb ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Diltiazem is a widely prescribed Ca(2+) antagonist drug for cardiac arrhythmia, hypertension, and angina pectoris. Using the ancestral CaV channel construct CaVAb as a molecular model for X-ray crystallographic analysis, we show here that diltiazem targets the central cavity of the voltage-gated Ca(2+) channel underneath its selectivity filter and physically blocks ion conduction. The diltiazem-binding site overlaps with the receptor site for phenylalkylamine Ca(2+) antagonist drugs such as verapamil. The dihydropyridine Ca(2+) channel blocker amlodipine binds at a distinct site and allosterically modulates the binding sites for diltiazem and Ca(2+) Our studies resolve two distinct binding poses for diltiazem in the absence and presence of amlodipine. The binding pose in the presence of amlodipine may mimic a high-affinity binding configuration induced by voltage-dependent inactivation, which is favored by dihydropyridine binding. In this binding pose, the tertiary amino group of diltiazem projects upward into the inner end of the ion selectivity filter, interacts with ion coordination Site 3 formed by the backbone carbonyls of T175, and alters binding of Ca(2+) to ion coordination Sites 1 and 2. Altogether, our results define the receptor site for diltiazem and elucidate the mechanisms for pore block and allosteric modulation by other Ca(2+) channel-blocking drugs at the atomic level. SIGNIFICANCE STATEMENT: Calcium antagonist drugs that block voltage-gated calcium channels in heart and vascular smooth muscle are widely used in the treatment of cardiovascular diseases. Our results reveal the chemical details of diltiazem binding in a blocking position in the pore of a model calcium channel and show that binding of another calcium antagonist drug alters binding of diltiazem and calcium. This structural information defines the mechanism of drug action at the atomic level and provides a molecular template for future drug discovery.

-	~~Authors~~:	+	Structural Basis for Diltiazem Block of a Voltage-Gated Ca(2+) Channel.,Tang L, Gamal El-Din TM, Lenaeus MJ, Zheng N, Catterall WA Mol Pharmacol. 2019 Oct;96(4):485-492. doi: 10.1124/mol.119.117531. Epub 2019 Aug, 7. PMID:31391290<ref>PMID:31391290</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6keb" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Tang, L]]
		+	[[Category: Membrane protein]]
		+	[[Category: Tetrameric]]
		+	[[Category: Transport protein]]
		+	[[Category: Voltage-gated calcium channel block]]
		+	[[Category: Voltage-gated ion channel]]

OCA at 06:32, 2 October 2019

OCA — Wed, 02 Oct 2019 06:32:20 GMT

←Older revision		Revision as of 06:32, 2 October 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 10 Jul 2019 04:02:44 GMT

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

←Older revision

Revision as of 04:02, 10 July 2019

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

OCA — Wed, 10 Jul 2019 04:02:42 GMT

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

New page

'''Unreleased structure'''

The entry 6keb is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]