6qeo - Revision history

OCA at 11:58, 24 January 2024

OCA — Wed, 24 Jan 2024 11:58:43 GMT

←Older revision		Revision as of 11:58, 24 January 2024
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	<StructureSection load='6qeo' size='340' side='right'caption='[[6qeo]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='6qeo' size='340' side='right'caption='[[6qeo]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qeo]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QEO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6QEO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qeo]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QEO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QEO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J02:2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic+acid'>J02</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 1.3Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6qbu\|6qbu]], [[6qen\|6qen]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J02:2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic+acid'>J02</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </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=6qeo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qeo OCA], [https://pdbe.org/6qeo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qeo RCSB], [https://www.ebi.ac.uk/pdbsum/6qeo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qeo 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=6qeo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qeo OCA], [~~http~~://pdbe.org/6qeo PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6qeo RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6qeo PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6qeo ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG]] Acts upon elastin.	+	[https://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG] Acts upon elastin.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6qeo" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6qeo" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Elastase 3D structures\|Elastase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Pancreatic elastase]]
	[[Category: Sus scrofa]]		[[Category: Sus scrofa]]
-	[[Category: Almeida~~, V T~~]]	+	[[Category: Almeida VT]]
-	[[Category: Archer, M]]	+	[[Category: Archer M]]
-	[[Category: Brito~~, J A~~]]	+	[[Category: Brito JA]]
-	[[Category: Carvalho~~, L M~~]]	+	[[Category: Carvalho LM]]
-	[[Category: Moreira, R]]	+	[[Category: Moreira R]]
-	~~[[Category: 3-oxo-beta-sultam]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Pancreatic porcine elastase]]~~	+
-	~~[[Category: Serine hydrolase]]~~	+
-	~~[[Category: Sulfonylation~~]]	+

OCA at 06:51, 8 April 2020

OCA — Wed, 08 Apr 2020 06:51:12 GMT

←Older revision		Revision as of 06:51, 8 April 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6qeo is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC269==
		+	<StructureSection load='6qeo' size='340' side='right'caption='[[6qeo]], [[Resolution\|resolution]] 1.30Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6qeo]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QEO OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6QEO FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J02:2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic+acid'>J02</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6qbu\|6qbu]], [[6qen\|6qen]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </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=6qeo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qeo OCA], [http://pdbe.org/6qeo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qeo RCSB], [http://www.ebi.ac.uk/pdbsum/6qeo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qeo ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG]] Acts upon elastin.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	3-Oxo-beta-sultams are four-membered ring ambident electrophiles that can react with nucleophiles either at the carbonyl carbon or at the sulfonyl sulfur atoms, and that have been reported to inhibit serine hydrolases via acylation of the active-site serine residue. We have developed a panel of 3-oxo-beta-sultam inhibitors and show, through crystallographic data, that they are regioselective sulfonylating electrophiles, covalently binding to the catalytic serine of human and porcine elastases through the sulfur atom. Application of 3-oxo-beta-sultam-derived activity-based probes in a human proteome revealed their potential to label disease-related serine hydrolases and proteasome subunits. Activity-based protein profiling applications of 3-oxo-beta-sultams should open up new opportunities to investigate these classes of enzymes in complex proteomes and expand the toolbox of available sulfur-based covalent protein modifiers in chemical biology.

-	~~Authors~~:	+	3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.,Carvalho LAR, Almeida VT, Brito JA, Lum KM, Oliveira TF, Guedes RC, Goncalves LM, Lucas SD, Cravatt BF, Archer M, Moreira R ACS Chem Biol. 2020 Mar 20. doi: 10.1021/acschembio.0c00090. PMID:32176480<ref>PMID:32176480</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6qeo" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Pancreatic elastase]]
		+	[[Category: Sus scrofa]]
		+	[[Category: Almeida, V T]]
		+	[[Category: Archer, M]]
		+	[[Category: Brito, J A]]
		+	[[Category: Carvalho, L M]]
		+	[[Category: Moreira, R]]
		+	[[Category: 3-oxo-beta-sultam]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Pancreatic porcine elastase]]
		+	[[Category: Serine hydrolase]]
		+	[[Category: Sulfonylation]]

OCA at 05:47, 18 December 2019

OCA — Wed, 18 Dec 2019 05:47:02 GMT

←Older revision		Revision as of 05:47, 18 December 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 16 Jan 2019 10:49:05 GMT

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

←Older revision

Revision as of 10:49, 16 January 2019

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

OCA — Wed, 16 Jan 2019 10:49:03 GMT

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

New page

'''Unreleased structure'''

The entry 6qeo is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]