6t62 - Revision history

OCA at 12:55, 24 January 2024

OCA — Wed, 24 Jan 2024 12:55:25 GMT

←Older revision		Revision as of 12:55, 24 January 2024
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	<StructureSection load='6t62' size='340' side='right'caption='[[6t62]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='6t62' size='340' side='right'caption='[[6t62]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6t62]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Aciba Aciba~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T62 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6T62 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6t62]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T62 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6T62 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=NAP:NADP+NICOTINAMIDE~~-~~ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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]] 1.8Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">fabG_9, fabG, fabG_10, fabG_11, fabG_12, fabG_2, fabG_3, fabG_5, fabG_7, fabG_8, A7M79_02495, A7M90_13795, A7N09_01015, AB719_00430, ABUW_3108, B4R90_07750, B9X91_07565, B9X95_05710, BGC29_09155, BWP00_12180, C2U32_18365, C3415_14660, CBE85_08910, CBI29_00841, CEJ63_15165, CHQ89_11440, CPI82_11015, CSB70_0489, CYQ93_20585, CYQ93_22950, D9Y30_09730, DCD77_08675, DGS69_00745, DOL94_00645, DVA79_16530, DWA21_01645, E4664_12920, E5D09_05595, EA682_12370, EA685_06995, EGM95_16765, EHF38_14445, EJB02_04655, EKS29_20225, EWO92_12305, EWO96_16390, EWP49_14850, FDF20_02980, LV38_02926, NCTC13305_01645, NT90_07375, SAMEA104305229_02428, SAMEA104305242_00720, SAMEA104305268_02089, SAMEA104305283_02395, SAMEA104305292_02313, SAMEA104305318_02347, SAMEA104305320_01823, SAMEA104305325_02271, SAMEA104305337_03003, SAMEA104305351_01934 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id~~=470 ACIBA])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	~~<tr id='activity'><td class~~="~~sblockLbl~~"><~~b>Activity:</b></td><td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[http~~:~~//en.wikipedia.org/wiki/3~~-~~oxoacyl~~-~~[acyl-carrier-protein]_reductase 3-oxoacyl-[acyl-carrier-protein] reductase], with EC number [http://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=6t62 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t62 OCA], [https://pdbe.org/6t62 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6t62 RCSB], [https://www.ebi.ac.uk/pdbsum/6t62 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6t62 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=6t62 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t62 OCA], [~~http~~://pdbe.org/6t62 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6t62 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6t62 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6t62 ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/V5VHN7_ACIBA V5VHN7_ACIBA]
	<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 6t62" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6t62" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-hydroxyacyl-acyl carrier protein dehydratase 3D structures\|Beta-hydroxyacyl-acyl carrier protein dehydratase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Aciba~~]]	+	[[Category: Acinetobacter baumannii]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[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: Nadp]]~~	+
-	~~[[Category: Nadph~~]]	+

OCA at 08:20, 20 January 2021

OCA — Wed, 20 Jan 2021 08:20:54 GMT

←Older revision		Revision as of 08:20, 20 January 2021
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	==Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution==		==Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution==
-	<StructureSection load='6t62' size='340' side='right'caption='[[6t62]]' scene=''>	+	<StructureSection load='6t62' size='340' side='right'caption='[[6t62]], [[Resolution\|resolution]] 1.80Å' 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=6T62 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6T62 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6t62]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aciba Aciba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T62 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6T62 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=6t62 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t62 OCA], [http://pdbe.org/6t62 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6t62 RCSB], [http://www.ebi.ac.uk/pdbsum/6t62 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6t62 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=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">fabG_9, fabG, fabG_10, fabG_11, fabG_12, fabG_2, fabG_3, fabG_5, fabG_7, fabG_8, A7M79_02495, A7M90_13795, A7N09_01015, AB719_00430, ABUW_3108, B4R90_07750, B9X91_07565, B9X95_05710, BGC29_09155, BWP00_12180, C2U32_18365, C3415_14660, CBE85_08910, CBI29_00841, CEJ63_15165, CHQ89_11440, CPI82_11015, CSB70_0489, CYQ93_20585, CYQ93_22950, D9Y30_09730, DCD77_08675, DGS69_00745, DOL94_00645, DVA79_16530, DWA21_01645, E4664_12920, E5D09_05595, EA682_12370, EA685_06995, EGM95_16765, EHF38_14445, EJB02_04655, EKS29_20225, EWO92_12305, EWO96_16390, EWP49_14850, FDF20_02980, LV38_02926, NCTC13305_01645, NT90_07375, SAMEA104305229_02428, SAMEA104305242_00720, SAMEA104305268_02089, SAMEA104305283_02395, SAMEA104305292_02313, SAMEA104305318_02347, SAMEA104305320_01823, SAMEA104305325_02271, SAMEA104305337_03003, SAMEA104305351_01934 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=470 ACIBA])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-oxoacyl-[acyl-carrier-protein]_reductase 3-oxoacyl-[acyl-carrier-protein] reductase], with EC number [http://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'>[http://proteopedia.org/fgij/fg.htm?mol=6t62 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t62 OCA], [http://pdbe.org/6t62 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6t62 RCSB], [http://www.ebi.ac.uk/pdbsum/6t62 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6t62 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 6t62" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aciba]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[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: Nadp]]
		+	[[Category: Nadph]]

OCA at 09:33, 18 November 2020

OCA — Wed, 18 Nov 2020 09:33:56 GMT

←Older revision		Revision as of 09:33, 18 November 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6t62 is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution==
-		+	<StructureSection load='6t62' size='340' side='right'caption='[[6t62]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T62 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6T62 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=6t62 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t62 OCA], [http://pdbe.org/6t62 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6t62 RCSB], [http://www.ebi.ac.uk/pdbsum/6t62 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6t62 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Schneider G]]
		+	[[Category: Schnell R]]
		+	[[Category: Vella P]]

OCA at 07:26, 30 October 2019

OCA — Wed, 30 Oct 2019 07:26:08 GMT

←Older revision		Revision as of 07:26, 30 October 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6t62 is ON HOLD	+	The entry 6t62 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6t62" [edit=sysop:move=sysop]

OCA — Wed, 23 Oct 2019 05:06:58 GMT

Protected "6t62" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:06, 23 October 2019

OCA: New page: '''Unreleased structure''' The entry 6t62 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 23 Oct 2019 05:06:56 GMT

New page: '''Unreleased structure''' The entry 6t62 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6t62 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]