7u6z - Revision history

OCA at 17:11, 18 October 2023

2023-10-18T17:11:53Z

←Older revision		Revision as of 17:11, 18 October 2023
Line 3:		Line 3:
	<StructureSection load='7u6z' size='340' side='right'caption='[[7u6z]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='7u6z' size='340' side='right'caption='[[7u6z]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7u6z]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7U6Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U6Z FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7u6z]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bordetella_pertussis Bordetella pertussis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7U6Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U6Z FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>~~, ~~<scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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]] 1.30002Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[7sky\|7sky]]~~, ~~[[7skk\|7skk]], [[7sne\|7sne]], [[7ski\|7ski]]~~</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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=7u6z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u6z OCA], [https://pdbe.org/7u6z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u6z RCSB], [https://www.ebi.ac.uk/pdbsum/7u6z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u6z 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=7u6z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u6z OCA], [https://pdbe.org/7u6z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u6z RCSB], [https://www.ebi.ac.uk/pdbsum/7u6z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u6z ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/TOX1_BORPE TOX1_BORPE]] S1 is an NAD-dependent ADP-ribosyltransferase, which plays a crucial role in the pathogenesis of B.pertussis causing disruption of normal host cellular regulation. It catalyzes the ADP-ribosylation of a cysteine in the alpha subunit of host heterotrimeric G proteins. In the absence of G proteins it also catalyzes the cleavage of NAD(+) into ADP-ribose and nicotinamide. It irreversibly uncouples the G-alpha GTP-binding proteins from their membrane receptors.	+	[https://www.uniprot.org/uniprot/TOX1_BORPE TOX1_BORPE] S1 is an NAD-dependent ADP-ribosyltransferase, which plays a crucial role in the pathogenesis of B.pertussis causing disruption of normal host cellular regulation. It catalyzes the ADP-ribosylation of a cysteine in the alpha subunit of host heterotrimeric G proteins. In the absence of G proteins it also catalyzes the cleavage of NAD(+) into ADP-ribose and nicotinamide. It irreversibly uncouples the G-alpha GTP-binding proteins from their membrane receptors.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 7u6z" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7u6z" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Pertussis toxin\|Pertussis toxin]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bordetella pertussis]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Beddoe, T]]	+	[[Category: Beddoe T]]
-	[[Category: Littler~~, D R~~]]	+	[[Category: Littler DR]]
-	[[Category: Pulliainen, A]]	+	[[Category: Pulliainen A]]
-	[[Category: Rossjohn, J]]	+	[[Category: Rossjohn J]]
-	~~[[Category: Adp-ribosyltransferase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Pertussis]]~~	+
-	~~[[Category: Toxin]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Whooping cough~~]]	+

OCA at 03:10, 21 April 2022

2022-04-21T03:10:11Z

←Older revision		Revision as of 03:10, 21 April 2022
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	==Pertussis toxin E129D NAD==		==Pertussis toxin E129D NAD==
-	<StructureSection load='7u6z' size='340' side='right'caption='[[7u6z]]' scene=''>	+	<StructureSection load='7u6z' size='340' side='right'caption='[[7u6z]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7U6Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U6Z FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7u6z]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7U6Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U6Z FirstGlance]. <br>
-	</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=7u6z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u6z OCA], [https://pdbe.org/7u6z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u6z RCSB], [https://www.ebi.ac.uk/pdbsum/7u6z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u6z ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7sky\|7sky]], [[7skk\|7skk]], [[7sne\|7sne]], [[7ski\|7ski]]</div></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=7u6z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u6z OCA], [https://pdbe.org/7u6z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u6z RCSB], [https://www.ebi.ac.uk/pdbsum/7u6z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u6z ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/TOX1_BORPE TOX1_BORPE]] S1 is an NAD-dependent ADP-ribosyltransferase, which plays a crucial role in the pathogenesis of B.pertussis causing disruption of normal host cellular regulation. It catalyzes the ADP-ribosylation of a cysteine in the alpha subunit of host heterotrimeric G proteins. In the absence of G proteins it also catalyzes the cleavage of NAD(+) into ADP-ribose and nicotinamide. It irreversibly uncouples the G-alpha GTP-binding proteins from their membrane receptors.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Bordetella pertussis is the causative agent of whooping cough, a highly contagious respiratory disease. Pertussis toxin (PT), a major virulence factor secreted by B. pertussis, is an AB5-type protein complex topologically related to cholera toxin. The PT protein complex is internalized by host cells and follows a retrograde trafficking route to the endoplasmic reticulum (ER), where it subsequently dissociates. The released enzymatic S1 subunit is then translocated from the ER into the cytosol and subsequently ADP-ribosylates the inhibitory alpha-subunits (Galphai) of heterotrimeric G proteins, thus promoting dysregulation of G-protein coupled receptor (GPCR) signaling. However, the mechanistic details of the ADP-ribosylation activity of PT are not well understood. Here, we describe crystal structures of the S1 subunit in complex with nicotinamide adenine dinucleotide (NAD+), with NAD+ hydrolysis products ADP-ribose and nicotinamide, with NAD+ analog PJ34, and with a novel NAD+ analog formed upon S1 subunit crystallization with 3-amino benzamide (3AB) and NAD+, which we name benzamide amino adenine dinucleotide (BaAD). These crystal structures provide unprecedented insights into pre- and post-NAD+ hydrolysis steps of the ADP-ribosyltransferase activity of PT. We propose that these data may aid in rational drug design approaches and further development of PT-specific small molecule inhibitors.
		+
		+	Crystal structures of pertussis toxin with NAD(+) and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity.,Sakari M, Tran MT, Rossjohn J, Pulliainen AT, Beddoe T, Littler DR J Biol Chem. 2022 Apr 1:101892. doi: 10.1016/j.jbc.2022.101892. PMID:35378130<ref>PMID:35378130</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7u6z" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Beddoe T]]	+	[[Category: Beddoe, T]]
-	[[Category: Littler DR]]	+	[[Category: Littler, D R]]
-	[[Category: Pulliainen A]]	+	[[Category: Pulliainen, A]]
-	[[Category: Rossjohn J]]	+	[[Category: Rossjohn, J]]
		+	[[Category: Adp-ribosyltransferase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Pertussis]]
		+	[[Category: Toxin]]
		+	[[Category: Transferase]]
		+	[[Category: Whooping cough]]

OCA at 09:48, 13 April 2022

2022-04-13T09:48:32Z

←Older revision		Revision as of 09:48, 13 April 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7u6z ~~is ON HOLD~~	+	==Pertussis toxin E129D NAD==
-		+	<StructureSection load='7u6z' size='340' side='right'caption='[[7u6z]]' scene=''>
-	~~Authors~~: ~~Littler~~, D.R., ~~Beddoe~~, T., ~~Pulliainen, A~~., ~~Rossjohn, J~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7U6Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U6Z FirstGlance]. <br>
-	~~Description: Pertussis toxin E129D NAD~~	+	</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=7u6z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u6z OCA], [https://pdbe.org/7u6z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u6z RCSB], [https://www.ebi.ac.uk/pdbsum/7u6z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u6z ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Rossjohn, J~~]]	+	__TOC__
-	[[Category: ~~Beddoe, T~~]]	+	</StructureSection>
-	[[Category: Pulliainen, A]]	+	[[Category: Large Structures]]
-	[[Category: ~~Littler, D.R~~]]	+	[[Category: Beddoe T]]
		+	[[Category: Littler DR]]
		+	[[Category: Pulliainen A]]
		+	[[Category: Rossjohn J]]

OCA: Protected "7u6z" [edit=sysop:move=sysop]

2022-03-16T05:03:26Z

Protected "7u6z" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:03, 16 March 2022

OCA: New page: '''Unreleased structure''' The entry 7u6z is ON HOLD Authors: Littler, D.R., Beddoe, T., Pulliainen, A., Rossjohn, J. Description: Pertussis toxin E129D NAD [[Category: Unreleased Stru...

2022-03-16T05:03:26Z

New page: '''Unreleased structure''' The entry 7u6z is ON HOLD Authors: Littler, D.R., Beddoe, T., Pulliainen, A., Rossjohn, J. Description: Pertussis toxin E129D NAD [[Category: Unreleased Stru...

New page

'''Unreleased structure'''

The entry 7u6z is ON HOLD

Authors: Littler, D.R., Beddoe, T., Pulliainen, A., Rossjohn, J.

Description: Pertussis toxin E129D NAD
[[Category: Unreleased Structures]]
[[Category: Rossjohn, J]]
[[Category: Beddoe, T]]
[[Category: Pulliainen, A]]
[[Category: Littler, D.R]]