6t6p - Revision history

OCA at 12:55, 24 January 2024

OCA — Wed, 24 Jan 2024 12:55:56 GMT

←Older revision		Revision as of 12:55, 24 January 2024
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	<StructureSection load='6t6p' size='340' side='right'caption='[[6t6p]], [[Resolution\|resolution]] 1.57Å' scene=''>		<StructureSection load='6t6p' size='340' side='right'caption='[[6t6p]], [[Resolution\|resolution]] 1.57Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6t6p]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae_30684/~~njst258_2~~ Klebsiella pneumoniae 30684/~~njst258_2~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T6P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6T6P FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6t6p]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae_30684/NJST258_2 Klebsiella pneumoniae 30684/NJST258_2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T6P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6T6P FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.57Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>KPNJ2_02761 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~1420013 Klebsiella pneumoniae 30684/NJST258_2])</td~~><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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~~'>[https://en.wikipedia.org/wiki/3-oxoacyl-[acyl-carrier-protein]_reductase 3-oxoacyl-[acyl-carrier-protein] reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.100 1.1.1.100] </~~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=6t6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t6p OCA], [https://pdbe.org/6t6p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6t6p RCSB], [https://www.ebi.ac.uk/pdbsum/6t6p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6t6p 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=6t6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t6p OCA], [https://pdbe.org/6t6p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6t6p RCSB], [https://www.ebi.ac.uk/pdbsum/6t6p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6t6p ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/W8VGR4_KLEPN W8VGR4_KLEPN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Klebsiella pneumoniae 30684/~~njst258_2~~]]	+	[[Category: Klebsiella pneumoniae 30684/NJST258_2]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Lindqvist, Y]]	+	[[Category: Lindqvist Y]]
-	[[Category: Schneider, G]]	+	[[Category: Schneider G]]
-	[[Category: Schnell, R]]	+	[[Category: Schnell R]]
-	[[Category: Vella, P]]	+	[[Category: Vella P]]
-	~~[[Category: Biosynthetic protein]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Fabg]]~~	+
-	~~[[Category: Fas-ii]]~~	+
-	~~[[Category: Fatty acid biosynthesis]]~~	+
-	~~[[Category: Nadh]]~~	+
-	~~[[Category: Nadph~~]]	+

OCA at 14:44, 2 June 2021

OCA — Wed, 02 Jun 2021 14:44:22 GMT

←Older revision		Revision as of 14:44, 2 June 2021
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	==Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution==		==Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution==
-	<StructureSection load='6t6p' size='340' side='right'caption='[[6t6p]]' scene=''>	+	<StructureSection load='6t6p' size='340' side='right'caption='[[6t6p]], [[Resolution\|resolution]] 1.57Å' 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=6T6P OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6T6P FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6t6p]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae_30684/njst258_2 Klebsiella pneumoniae 30684/njst258_2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T6P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6T6P FirstGlance]. <br>
-	</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=6t6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t6p OCA], [~~http~~://pdbe.org/6t6p PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6t6p RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6t6p PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6t6p 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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KPNJ2_02761 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1420013 Klebsiella pneumoniae 30684/NJST258_2])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/3-oxoacyl-[acyl-carrier-protein]_reductase 3-oxoacyl-[acyl-carrier-protein] reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.100 1.1.1.100] </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=6t6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t6p OCA], [https://pdbe.org/6t6p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6t6p RCSB], [https://www.ebi.ac.uk/pdbsum/6t6p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6t6p ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The spread of antibiotic resistance within the ESKAPE group of human pathogenic bacteria poses severe challenges in the treatment of infections and maintenance of safe hospital environments. This motivates efforts to validate novel target proteins within these species that could be pursued as potential targets for antibiotic development. Genetic data suggest that the enzyme FabG, which is part of the bacterial fatty acid biosynthetic system FAS-II, is essential in several ESKAPE pathogens. FabG catalyzes the NADPH dependent reduction of 3-keto-acyl-ACP during fatty acid elongation, thus enabling lipid supply for production and maintenance of the cell envelope. Here we report on small-molecule screening on the FabG enzymes from A. baumannii and S. typhimurium to identify a set of microM inhibitors, with the most potent representative (1) demonstrating activity against six FabG-orthologues. A co-crystal structure with FabG from A. baumannii (PDB:6T65) confirms inhibitor binding at an allosteric site located in the subunit interface, as previously demonstrated for other sub-microM inhibitors of FabG from P. aeruginosa. We show that inhibitor binding distorts the oligomerization interface in the FabG tetramer and displaces crucial residues involved in the interaction with the co-substrate NADPH. These observations suggest a conserved allosteric site across the FabG family, which can be potentially targeted for interference with fatty acid biosynthesis in clinically relevant ESKAPE pathogens.
		+
		+	A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.,Vella P, Rudraraju RS, Lundback T, Axelsson H, Almqvist H, Vallin M, Schneider G, Schnell R Bioorg Med Chem. 2021 Jan 15;30:115898. doi: 10.1016/j.bmc.2020.115898. Epub 2020, Dec 5. PMID:33388594<ref>PMID:33388594</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6t6p" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Klebsiella pneumoniae 30684/njst258_2]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Lindqvist Y]]	+	[[Category: Lindqvist, Y]]
-	[[Category: Schneider G]]	+	[[Category: Schneider, G]]
-	[[Category: Schnell R]]	+	[[Category: Schnell, R]]
-	[[Category: Vella P]]	+	[[Category: Vella, P]]
		+	[[Category: Biosynthetic protein]]
		+	[[Category: Complex]]
		+	[[Category: Fabg]]
		+	[[Category: Fas-ii]]
		+	[[Category: Fatty acid biosynthesis]]
		+	[[Category: Nadh]]
		+	[[Category: Nadph]]

OCA at 09:34, 18 November 2020

OCA — Wed, 18 Nov 2020 09:34:15 GMT

←Older revision		Revision as of 09:34, 18 November 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6t6p is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution==
-		+	<StructureSection load='6t6p' size='340' side='right'caption='[[6t6p]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T6P OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6T6P FirstGlance]. <br>
-	~~Description~~:	+	</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=6t6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t6p OCA], [http://pdbe.org/6t6p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6t6p RCSB], [http://www.ebi.ac.uk/pdbsum/6t6p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6t6p ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Lindqvist Y]]
		+	[[Category: Schneider G]]
		+	[[Category: Schnell R]]
		+	[[Category: Vella P]]

OCA: Protected "6t6p" [edit=sysop:move=sysop]

OCA — Wed, 30 Oct 2019 07:27:48 GMT

Protected "6t6p" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:27, 30 October 2019

OCA: New page: '''Unreleased structure''' The entry 6t6p is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Wed, 30 Oct 2019 07:27:46 GMT

New page: '''Unreleased structure''' The entry 6t6p is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6t6p is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]