3bok - Revision history

OCA at 12:11, 30 August 2023

OCA — Wed, 30 Aug 2023 12:11:27 GMT

←Older revision		Revision as of 12:11, 30 August 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3bok]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BOK FirstGlance]. <br>		<table><tr><td colspan='2'>[[3bok]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BOK FirstGlance]. <br>
-	</td></tr><tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~><div style='overflow: auto; max-height: 3em;'>[[3bon\|3bon]], [[3boo\|3boo]]</div></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]] 1.25Å</td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~">~~<b>~~[[~~Gene~~\|~~Gene:~~]]~~</b></td><td class="sblockDat">BOTA, ATX, BNA ([https://www~~.~~ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info~~&~~srchmode=5&id=1491 Clostridium botulinum])~~</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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [https://pdbe.org/3bok PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [https://www.ebi.ac.uk/pdbsum/3bok PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bok 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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [https://pdbe.org/3bok PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [https://www.ebi.ac.uk/pdbsum/3bok PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bok ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/BXA1_CLOBH BXA1_CLOBH] Inhibits acetylcholine release. The botulinum toxin binds with high affinity to peripheral neuronal presynaptic membrane to the secretory vesicle protein SV2. It binds directly to the largest luminal loop of SV2A, SV2B and SV2C. It is then internalized by receptor-mediated endocytosis. The C-terminus of the heavy chain (H) is responsible for the adherence of the toxin to the cell surface while the N-terminus mediates transport of the light chain from the endocytic vesicle to the cytosol. After translocation, the light chain (L) hydrolyzes the 197-Gln-\|-Arg-198 bond in SNAP-25, thereby blocking neurotransmitter release. Inhibition of acetylcholine release results in flaccid paralysis, with frequent heart or respiratory failure.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	[[Category: Clostridium botulinum]]		[[Category: Clostridium botulinum]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Allen~~, K N~~]]	+	[[Category: Allen KN]]
-	[[Category: Silvaggi~~, N R]]~~	+	[[Category: Silvaggi NR]]
-	~~[[Category: Botulinum]]~~	+
-	~~[[Category: Metalloprotease]]~~	+
-	~~[[Category: Neurotoxin]]~~	+
-	~~[[Category: Toxin~~]]	+

OCA at 08:20, 19 January 2022

OCA — Wed, 19 Jan 2022 08:20:34 GMT

←Older revision		Revision as of 08:20, 19 January 2022
Line 1:		Line 1:

	==Structure of the C. botulinum neurotoxin serotype A apo-enzyme==		==Structure of the C. botulinum neurotoxin serotype A apo-enzyme==
-	<StructureSection load='3bok' size='340' side='right' caption='[[3bok]], [[Resolution\|resolution]] 1.25Å' scene=''>	+	<StructureSection load='3bok' size='340' side='right'caption='[[3bok]], [[Resolution\|resolution]] 1.25Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3bok]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3BOK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3bok]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BOK FirstGlance]. <br>
-	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>	+	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3bon\|3bon]], [[3boo\|3boo]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [~~http~~://pdbe.org/3bok PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3bok PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3bok 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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [https://pdbe.org/3bok PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [https://www.ebi.ac.uk/pdbsum/3bok PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bok ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 12:		Line 12:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bo/3bok_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bo/3bok_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 29:		Line 29:

	==See Also==		==See Also==
-	*[[Botulinum neurotoxin\|Botulinum neurotoxin]]	+	*[[Botulinum neurotoxin 3D structures\|Botulinum neurotoxin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 35:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Clostridium botulinum]]		[[Category: Clostridium botulinum]]
		+	[[Category: Large Structures]]
	[[Category: Allen, K N]]		[[Category: Allen, K N]]
	[[Category: Silvaggi, N R]]		[[Category: Silvaggi, N R]]

OCA at 08:07, 25 October 2017

OCA — Wed, 25 Oct 2017 08:07:15 GMT

←Older revision		Revision as of 08:07, 25 October 2017
Line 1:		Line 1:
		+
	==Structure of the C. botulinum neurotoxin serotype A apo-enzyme==		==Structure of the C. botulinum neurotoxin serotype A apo-enzyme==
	<StructureSection load='3bok' size='340' side='right' caption='[[3bok]], [[Resolution\|resolution]] 1.25Å' scene=''>		<StructureSection load='3bok' size='340' side='right' caption='[[3bok]], [[Resolution\|resolution]] 1.25Å' scene=''>
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	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>		</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [http://pdbe.org/3bok PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [http://www.ebi.ac.uk/pdbsum/3bok PDBsum]</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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [http://pdbe.org/3bok PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [http://www.ebi.ac.uk/pdbsum/3bok PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3bok ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 08:35, 9 February 2016

OCA — Tue, 09 Feb 2016 08:35:41 GMT

←Older revision		Revision as of 08:35, 9 February 2016
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	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>		</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [http://www.ebi.ac.uk/pdbsum/3bok PDBsum]</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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [http://pdbe.org/3bok PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [http://www.ebi.ac.uk/pdbsum/3bok PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 15:		Line 15:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3bok ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 25:		Line 25:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3bok" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 09:47, 20 January 2015

OCA — Tue, 20 Jan 2015 09:47:30 GMT

←Older revision		Revision as of 09:47, 20 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3bok]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BOK FirstGlance]. <br>		<table><tr><td colspan='2'>[[3bok]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BOK FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>	+	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [http://www.ebi.ac.uk/pdbsum/3bok PDBsum]</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=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [http://www.ebi.ac.uk/pdbsum/3bok PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 25:		Line 25:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+
		+	==See Also==
		+	*[[Botulinum neurotoxin\|Botulinum neurotoxin]]
	== References ==		== References ==
	<references/>		<references/>
Line 30:		Line 33:
	</StructureSection>		</StructureSection>
	[[Category: Clostridium botulinum]]		[[Category: Clostridium botulinum]]
-	[[Category: Allen, K N.]]	+	[[Category: Allen, K N]]
-	[[Category: Silvaggi, N R.]]	+	[[Category: Silvaggi, N R]]
	[[Category: Botulinum]]		[[Category: Botulinum]]
	[[Category: Metalloprotease]]		[[Category: Metalloprotease]]
	[[Category: Neurotoxin]]		[[Category: Neurotoxin]]
	[[Category: Toxin]]		[[Category: Toxin]]

OCA at 21:33, 2 October 2014

OCA — Thu, 02 Oct 2014 21:33:47 GMT

←Older revision		Revision as of 21:33, 2 October 2014
Line 1:		Line 1:
-	[[~~Image:~~3bok.~~png~~\|~~left~~\|200px]]	+	==Structure of the C. botulinum neurotoxin serotype A apo-enzyme==
		+	<StructureSection load='3bok' size='340' side='right' caption='[[3bok]], [[Resolution\|resolution]] 1.25Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3bok]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BOK FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3bon\|3bon]], [[3boo\|3boo]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BOTA, ATX, BNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1491 Clostridium botulinum])</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3bok FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bok OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bok RCSB], [http://www.ebi.ac.uk/pdbsum/3bok PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bo/3bok_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The Clostridium botulinum neurotoxin serotype A light chain (BoNT/A-LC) is a Zn(II)-dependent metalloprotease that blocks the release of acetylcholine at the neuromuscular junction by cleaving SNAP-25, one of the SNARE proteins required for exocytosis. Because of the potential for use of the toxin in bioterrorism and the increasingly widespread application of the toxin in the medical field, there is significant interest in the development of small-molecule inhibitors of the metalloprotease. Efforts to design such inhibitors have not benefited from knowledge of how peptides bind to the active site since the enzyme-peptide structures available previously either were not occupied in the vicinity of the catalytic Zn(II) ion or did not represent the product of SNAP-25 substrate cleavage. Herein we report the 1.4 A-resolution X-ray crystal structure of a complex between the BoNT/A-LC and the inhibitory peptide N-Ac-CRATKML, the first structure of the light chain with an inhibitory peptide bound at the catalytic Zn(II) ion. The peptide is bound with the Cys S gamma atom coordinating the metal ion. Surprisingly, the cysteine sulfur is oxidized to the sulfenic acid form. Given the unstable nature of this species in solution, is it likely that oxidation occurs on the enzyme. In addition to the peptide-bound structure, we report two structures of the unliganded light chain with and without the Zn(II) cofactor bound at 1.25 and 1.20 A resolution, respectively. The two structures are nearly identical, confirming that the Zn(II) ion plays a purely catalytic role. Additionally, the structure of the Zn(II)-bound uncomplexed enzyme allows identification of the catalytic water molecule and a second water molecule that occupies the same position as the peptidic oxygen in the tetrahedral intermediate. This observation suggests that the enzyme active site is prearranged to stabilize the tetrahedral intermediate of the protease reaction.

-	~~{{STRUCTURE_3bok\| PDB=3bok \| SCENE= }}~~	+	Catalytic features of the botulinum neurotoxin a light chain revealed by high resolution structure of an inhibitory peptide complex.,Silvaggi NR, Wilson D, Tzipori S, Allen KN Biochemistry. 2008 May 27;47(21):5736-45. Epub 2008 May 6. PMID:18457419<ref>PMID:18457419</ref>

-	~~===Structure~~ of the C. ~~botulinum neurotoxin serotype A apo-enzyme===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_18457419}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[3bok]] is a 1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org~~/~~wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:018457419<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Clostridium botulinum]]		[[Category: Clostridium botulinum]]
	[[Category: Allen, K N.]]		[[Category: Allen, K N.]]

OCA: Protected "3bok" [edit=sysop:move=sysop]

OCA — Mon, 07 Jan 2013 21:45:25 GMT

Protected "3bok" [edit=sysop:move=sysop]

←Older revision

Revision as of 21:45, 7 January 2013

OCA at 21:45, 7 January 2013

OCA — Mon, 07 Jan 2013 21:45:23 GMT

←Older revision		Revision as of 21:45, 7 January 2013
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-	{{Seed}}
	[[Image:3bok.png\|left\|200px]]		[[Image:3bok.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3bok", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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	{{STRUCTURE_3bok\| PDB=3bok \| SCENE= }}		{{STRUCTURE_3bok\| PDB=3bok \| SCENE= }}

	===Structure of the C. botulinum neurotoxin serotype A apo-enzyme===		===Structure of the C. botulinum neurotoxin serotype A apo-enzyme===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_18457419}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 18457419 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_18457419}}		{{ABSTRACT_PUBMED_18457419}}

	==About this Structure==		==About this Structure==
-	~~3BOK~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA].	+	[[3bok]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~18457419~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:018457419</ref><references group="xtra"/>
	[[Category: Clostridium botulinum]]		[[Category: Clostridium botulinum]]
	[[Category: Allen, K N.]]		[[Category: Allen, K N.]]
Line 30:		Line 18:
	[[Category: Metalloprotease]]		[[Category: Metalloprotease]]
	[[Category: Neurotoxin]]		[[Category: Neurotoxin]]
-		+	[[Category: Toxin]]
-	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Tue Feb 17 08:24:23 2009''~~	+

OCA at 06:24, 17 February 2009

OCA — Tue, 17 Feb 2009 06:24:24 GMT

←Older revision		Revision as of 06:24, 17 February 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	3BOK is a ~~[[Single protein]]~~ structure of sequence from [http://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA].	+	3BOK is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Clostridium_botulinum Clostridium botulinum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BOK OCA].

	==Reference==		==Reference==
-	Catalytic features of the botulinum neurotoxin a light chain revealed by high resolution structure of an inhibitory peptide complex., Silvaggi NR, Wilson D, Tzipori S, Allen KN, Biochemistry. 2008 May 27;47(21):5736-45. Epub 2008 May 6. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/18457419 18457419]~~	+	<ref group="xtra">PMID:18457419</ref><references group="xtra"/>
	[[Category: Clostridium botulinum]]		[[Category: Clostridium botulinum]]
-	[[Category: Single protein]]
	[[Category: Allen, K N.]]		[[Category: Allen, K N.]]
	[[Category: Silvaggi, N R.]]		[[Category: Silvaggi, N R.]]
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	[[Category: Neurotoxin]]		[[Category: Neurotoxin]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Mon Jul 28 11~~:49:~~29 2008~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 08:24:23 2009''

OCA at 08:49, 28 July 2008

OCA — Mon, 28 Jul 2008 08:49:31 GMT

←Older revision		Revision as of 08:49, 28 July 2008
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-	[[Image:3bok.~~jpg~~\|left\|200px]]	+	{{Seed}}
		+	[[Image:3bok.png\|left\|200px]]

	<!--		<!--
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	{{STRUCTURE_3bok\| PDB=3bok \| SCENE= }}		{{STRUCTURE_3bok\| PDB=3bok \| SCENE= }}

-	~~'''~~Structure of the C. botulinum neurotoxin serotype A apo-enzyme~~'''~~	+	===Structure of the C. botulinum neurotoxin serotype A apo-enzyme===


-	~~==Overview==~~	+	<!--
-	The ~~Clostridium botulinum neurotoxin serotype A light chain (BoNT/A-LC) is a Zn(II)-dependent metalloprotease that blocks the release of acetylcholine at the neuromuscular junction by cleaving SNAP-25~~, ~~one of the SNARE proteins required for exocytosis. Because of the potential for use of the toxin in bioterrorism and the increasingly widespread application of the toxin in the medical field~~, ~~there is significant interest in~~ the ~~development of small-molecule inhibitors of the metalloprotease. Efforts to design such inhibitors have not benefited from knowledge of how peptides bind~~ to the ~~active site since the enzyme-peptide structures available previously either were not occupied in the vicinity of the catalytic Zn~~(II) ion or did not represent the product of SNAP-25 substrate cleavage. Herein we report the 1.4 A-resolution X-ray crystal structure of a complex between the BoNT/A-LC and the inhibitory peptide N-Ac-CRATKML, the first structure of the light chain with an inhibitory peptide bound at the catalytic Zn(II) ion. The peptide is bound with the Cys S gamma atom coordinating the metal ion. Surprisingly, the cysteine sulfur is oxidized to the sulfenic acid form. Given the unstable nature of this species in solution, is it ~~likely that oxidation occurs~~ on ~~the enzyme. In addition to the peptide-bound structure, we report two structures of the unliganded light chain with and without the Zn(II) cofactor bound~~ at 1.~~25 and 1~~.~~20 A resolution, respectively. The two structures are nearly identical, confirming that the Zn(II~~) ~~ion plays a purely catalytic role. Additionally~~, the structure of the Zn(II)-bound uncomplexed enzyme allows identification of the catalytic water molecule and a second water molecule that occupies the same position as the peptidic oxygen in the tetrahedral intermediate. This observation suggests that the enzyme active site is ~~prearranged to stabilize~~ the ~~tetrahedral intermediate of the protease reaction~~.	+	The line below this paragraph, {{ABSTRACT_PUBMED_18457419}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 18457419 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_18457419}}

	==About this Structure==		==About this Structure==
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	[[Category: Metalloprotease]]		[[Category: Metalloprotease]]
	[[Category: Neurotoxin]]		[[Category: Neurotoxin]]
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Thu May 22 21~~:50:22 2008''	+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 11:49:29 2008''