5lzg - Revision history

OCA at 18:17, 1 November 2023

OCA — Wed, 01 Nov 2023 18:17:56 GMT

←Older revision		Revision as of 18:17, 1 November 2023
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	<StructureSection load='5lzg' size='340' side='right'caption='[[5lzg]], [[Resolution\|resolution]] 1.13Å' scene=''>		<StructureSection load='5lzg' size='340' side='right'caption='[[5lzg]], [[Resolution\|resolution]] 1.13Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lzg]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LZG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5LZG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lzg]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Vibrio_cholerae_O1_biovar_El_Tor_str._N16961 Vibrio cholerae O1 biovar El Tor str. N16961]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LZG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LZG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7BN:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic+acid'>7BN</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</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]] 1.13Å</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5lzg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lzg OCA], [~~http~~://pdbe.org/5lzg PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5lzg RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5lzg PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5lzg ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7BN:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic+acid'>7BN</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</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=5lzg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lzg OCA], [https://pdbe.org/5lzg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lzg RCSB], [https://www.ebi.ac.uk/pdbsum/5lzg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lzg ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CHTB_VIBCH CHTB_VIBCH]] The B subunit pentameric ring directs the A subunit to its target by binding to the GM1 gangliosides present on the surface of the intestinal epithelial cells. It can bind five GM1 gangliosides. It has no toxic activity by itself.	+	[https://www.uniprot.org/uniprot/CHTB_VIBCH CHTB_VIBCH] The B subunit pentameric ring directs the A subunit to its target by binding to the GM1 gangliosides present on the surface of the intestinal epithelial cells. It can bind five GM1 gangliosides. It has no toxic activity by itself.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Heggelund, J E~~]]	+	[[Category: Vibrio cholerae O1 biovar El Tor str. N16961]]
-	[[Category: ~~Krengel, U~~]]	+	[[Category: Heggelund JE]]
-	[[Category: ~~Martinsen, T~~]]	+	[[Category: Krengel U]]
-	[[Category: ~~Cholera toxin b-pentamer]]~~	+	[[Category: Martinsen T]]
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Toxin~~]]	+

OCA at 10:56, 12 August 2020

OCA — Wed, 12 Aug 2020 10:56:18 GMT

←Older revision		Revision as of 10:56, 12 August 2020
Line 1:		Line 1:

	==Cholera toxin El Tor B-pentamer in complex with inhibitor PC262==		==Cholera toxin El Tor B-pentamer in complex with inhibitor PC262==
-	<StructureSection load='5lzg' size='340' side='right' caption='[[5lzg]], [[Resolution\|resolution]] 1.13Å' scene=''>	+	<StructureSection load='5lzg' size='340' side='right'caption='[[5lzg]], [[Resolution\|resolution]] 1.13Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lzg]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LZG OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5LZG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lzg]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LZG OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LZG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7BN:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic+acid'>7BN</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7BN:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic+acid'>7BN</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</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=5lzg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lzg OCA], [http://pdbe.org/5lzg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lzg RCSB], [http://www.ebi.ac.uk/pdbsum/5lzg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lzg ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5lzg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lzg OCA], [http://pdbe.org/5lzg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lzg RCSB], [http://www.ebi.ac.uk/pdbsum/5lzg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lzg ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 22:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Heggelund, J E]]		[[Category: Heggelund, J E]]
	[[Category: Krengel, U]]		[[Category: Krengel, U]]

OCA at 10:13, 3 August 2017

OCA — Thu, 03 Aug 2017 10:13:44 GMT

←Older revision		Revision as of 10:13, 3 August 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5lzg is ~~ON HOLD until Paper~~ Publication	+	==Cholera toxin El Tor B-pentamer in complex with inhibitor PC262==
		+	<StructureSection load='5lzg' size='340' side='right' caption='[[5lzg]], [[Resolution\|resolution]] 1.13Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5lzg]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LZG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LZG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7BN:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic+acid'>7BN</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</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=5lzg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lzg OCA], [http://pdbe.org/5lzg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lzg RCSB], [http://www.ebi.ac.uk/pdbsum/5lzg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lzg ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CHTB_VIBCH CHTB_VIBCH]] The B subunit pentameric ring directs the A subunit to its target by binding to the GM1 gangliosides present on the surface of the intestinal epithelial cells. It can bind five GM1 gangliosides. It has no toxic activity by itself.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Cholera is a life-threatening disease in many countries, and new drugs are clearly needed. C-glycosidic antagonists may serve such a purpose. Here we report atomic-resolution crystal structures of three such compounds in complexes with the cholera toxin. The structures give unprecedented atomic details of the molecular interactions and show how the inhibitors efficiently block the GM1 binding site. These molecules are well suited for development into low-cost prophylactic drugs, due to their relatively easy synthesis and their resistance to glycolytic enzymes. One of the compounds links two toxin B-pentamers in the crystal structure, which may yield improved inhibition through the formation of toxin aggregates. These structures can spark the improved design of GM1 mimics, either alone or as multivalent inhibitors connecting multiple GM1-binding sites. Future developments may further include compounds that link the primary and secondary binding sites. Serving as decoys, receptor mimics may lessen symptoms while avoiding the use of antibiotics.

-	~~Authors~~: Heggelund, ~~J.E.~~, Martinsen, T., ~~Krengel~~, U.	+	Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.,Heggelund JE, Mackenzie A, Martinsen T, Heim JB, Cheshev P, Bernardi A, Krengel U Sci Rep. 2017 May 24;7(1):2326. doi: 10.1038/s41598-017-02179-0. PMID:28539625<ref>PMID:28539625</ref>

-	~~Description: Cholera toxin El Tor B-pentamer in complex with inhibitor PC262~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: Heggelund, J.E]]	+	<div class="pdbe-citations 5lzg" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Heggelund, J E]]
	[[Category: Krengel, U]]		[[Category: Krengel, U]]
	[[Category: Martinsen, T]]		[[Category: Martinsen, T]]
		+	[[Category: Cholera toxin b-pentamer]]
		+	[[Category: Inhibitor]]
		+	[[Category: Toxin]]

OCA at 10:57, 9 March 2017

OCA — Thu, 09 Mar 2017 10:57:57 GMT

←Older revision		Revision as of 10:57, 9 March 2017
Line 8:		Line 8:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Heggelund, J.E]]		[[Category: Heggelund, J.E]]
-	[[Category: Martinsen, T]]
	[[Category: Krengel, U]]		[[Category: Krengel, U]]
		+	[[Category: Martinsen, T]]

OCA at 14:58, 19 October 2016

OCA — Wed, 19 Oct 2016 14:58:13 GMT

←Older revision		Revision as of 14:58, 19 October 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Heggelund, J.E., Martinsen, T., Krengel, U.		Authors: Heggelund, J.E., Martinsen, T., Krengel, U.

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

OCA — Wed, 05 Oct 2016 19:24:24 GMT

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

←Older revision

Revision as of 19:24, 5 October 2016

OCA: New page: '''Unreleased structure''' The entry 5lzg is ON HOLD Authors: Heggelund, J.E., Martinsen, T., Krengel, U. Description: Cholera toxin El Tor B-pentamer in complex with inhibitor PC262 [...

OCA — Wed, 05 Oct 2016 19:24:23 GMT

New page: '''Unreleased structure''' The entry 5lzg is ON HOLD Authors: Heggelund, J.E., Martinsen, T., Krengel, U. Description: Cholera toxin El Tor B-pentamer in complex with inhibitor PC262 [...

New page

'''Unreleased structure'''

The entry 5lzg is ON HOLD

Authors: Heggelund, J.E., Martinsen, T., Krengel, U.

Description: Cholera toxin El Tor B-pentamer in complex with inhibitor PC262
[[Category: Unreleased Structures]]
[[Category: Heggelund, J.E]]
[[Category: Martinsen, T]]
[[Category: Krengel, U]]