7pcn - Revision history

OCA at 13:04, 1 February 2024

OCA — Thu, 01 Feb 2024 13:04:03 GMT

←Older revision		Revision as of 13:04, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='7pcn' size='340' side='right'caption='[[7pcn]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='7pcn' size='340' side='right'caption='[[7pcn]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7pcn]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PCN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PCN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7pcn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Burkholderia_thailandensis_E264 Burkholderia thailandensis E264]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PCN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PCN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=78I:(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic+acid'>78I</scene>, <scene name='pdbligand=7BI:dimethyl-[(Z)-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium'>7BI</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MSM:(METHYLSULFANYL)METHANE'>MSM</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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]] 1.6Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6aqj\|6aqj]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=78I:(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic+acid'>78I</scene>, <scene name='pdbligand=7BI:dimethyl-[(Z)-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium'>7BI</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MSM:(METHYLSULFANYL)METHANE'>MSM</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Ketol-acid_reductoisomerase Ketol-acid reductoisomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.86 1.1.1.86] </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=7pcn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pcn OCA], [https://pdbe.org/7pcn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pcn RCSB], [https://www.ebi.ac.uk/pdbsum/7pcn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pcn 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=7pcn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pcn OCA], [https://pdbe.org/7pcn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pcn RCSB], [https://www.ebi.ac.uk/pdbsum/7pcn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pcn ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q2T3G7_BURTA Q2T3G7_BURTA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 7pcn" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7pcn" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Ketol-acid reductoisomerase 3D structures\|Ketol-acid reductoisomerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Ketol-acid reductoisomerase~~]]	+	[[Category: Burkholderia thailandensis E264]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Groll, M]]	+	[[Category: Groll M]]
-	[[Category: Hertweck, C]]	+	[[Category: Hertweck C]]
-	[[Category: Ishida, K]]	+	[[Category: Ishida K]]
-	[[Category: Ishida, M]]	+	[[Category: Ishida M]]
-	[[Category: Kries, H]]	+	[[Category: Kries H]]
-	[[Category: Trottmann, F]]	+	[[Category: Trottmann F]]
-	~~[[Category: Biosynthesis]]~~	+
-	~~[[Category: Catalysis]]~~	+
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Natural product]]~~	+
-	~~[[Category: Pathogen]]~~	+
-	~~[[Category: Toxin~~]]	+

OCA at 06:37, 18 August 2022

OCA — Thu, 18 Aug 2022 06:37:55 GMT

←Older revision		Revision as of 06:37, 18 August 2022
Line 1:		Line 1:

	==BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins==		==BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins==
-	<StructureSection load='7pcn' size='340' side='right'caption='[[7pcn]]' scene=''>	+	<StructureSection load='7pcn' size='340' side='right'caption='[[7pcn]], [[Resolution\|resolution]] 1.60Å' 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=7PCN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PCN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7pcn]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PCN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PCN 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=7pcn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pcn OCA], [https://pdbe.org/7pcn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pcn RCSB], [https://www.ebi.ac.uk/pdbsum/7pcn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pcn 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=78I:(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic+acid'>78I</scene>, <scene name='pdbligand=7BI:dimethyl-[(Z)-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium'>7BI</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MSM:(METHYLSULFANYL)METHANE'>MSM</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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;'>[[6aqj\|6aqj]]</div></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Ketol-acid_reductoisomerase Ketol-acid reductoisomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.86 1.1.1.86] </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=7pcn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pcn OCA], [https://pdbe.org/7pcn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pcn RCSB], [https://www.ebi.ac.uk/pdbsum/7pcn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pcn ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Bacteria of the Burkholderia pseudomallei (BP) group pose a global health threat, causing the infectious diseases melioidosis, a common cause of pneumonia and sepsis, and glanders, a contagious zoonosis. A trait of BP bacteria is a conserved gene cluster coding for the biosynthesis of polyketides (malleicyprols) with a reactive cyclopropanol unit that is critical for virulence. Enzymes building this warhead represent ideal targets for antivirulence strategies but the biochemical basis of cyclopropanol formation is unknown. Here we describe the formation of the malleicyprol warhead. We show that BurG, an unusual NAD(+)-dependent member of the ketol-acid reductoisomerase family, constructs the strained cyclopropanol ring. Biochemical assays and a suite of eight crystal structures of native and mutated BurG with bound analogues and inhibitors provide snapshots of each step of the complex reaction mechanism, involving a concealed oxidoreduction and a C-S bond cleavage. Our findings illustrate a remarkable case of neofunctionalisation, where a biocatalyst from central metabolism has been evolutionarily repurposed for warhead production in pathogens.
		+
		+	Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.,Trottmann F, Ishida K, Ishida-Ito M, Kries H, Groll M, Hertweck C Nat Chem. 2022 Aug;14(8):884-890. doi: 10.1038/s41557-022-01005-z. Epub 2022 Jul , 29. PMID:35906404<ref>PMID:35906404</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7pcn" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ketol-acid reductoisomerase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Groll M]]	+	[[Category: Groll, M]]
-	[[Category: Hertweck C]]	+	[[Category: Hertweck, C]]
-	[[Category: Ishida K]]	+	[[Category: Ishida, K]]
-	[[Category: Ishida M]]	+	[[Category: Ishida, M]]
-	[[Category: Kries H]]	+	[[Category: Kries, H]]
-	[[Category: Trottmann F]]	+	[[Category: Trottmann, F]]
		+	[[Category: Biosynthesis]]
		+	[[Category: Catalysis]]
		+	[[Category: Lyase]]
		+	[[Category: Natural product]]
		+	[[Category: Pathogen]]
		+	[[Category: Toxin]]

OCA at 04:59, 10 August 2022

OCA — Wed, 10 Aug 2022 04:59:03 GMT

←Older revision		Revision as of 04:59, 10 August 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 7pcn is ON HOLD until Paper Publication~~	+	==BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins==
-		+	<StructureSection load='7pcn' size='340' side='right'caption='[[7pcn]]' scene=''>
-	~~Authors: Trottmann, F., Ishida, K., Ishida, M., Kries, H., Groll, M., Hertweck, C.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PCN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PCN FirstGlance]. <br>
-	~~Description:~~ BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins	+	</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=7pcn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7pcn OCA], [https://pdbe.org/7pcn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7pcn RCSB], [https://www.ebi.ac.uk/pdbsum/7pcn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7pcn ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Ishida, K~~]]	+	__TOC__
-	[[Category: Hertweck, C]]	+	</StructureSection>
-	[[Category: Ishida~~, M~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Kries, H~~]]	+	[[Category: Groll M]]
-	[[Category: ~~Trottmann, F~~]]	+	[[Category: Hertweck C]]
-	[[Category: ~~Groll, M~~]]	+	[[Category: Ishida K]]
		+	[[Category: Ishida M]]
		+	[[Category: Kries H]]
		+	[[Category: Trottmann F]]

OCA at 06:26, 22 June 2022

OCA — Wed, 22 Jun 2022 06:26:11 GMT

←Older revision		Revision as of 06:26, 22 June 2022
Line 7:		Line 7:
	Description: BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins		Description: BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Trottmann, F]]
	[[Category: Ishida, K]]		[[Category: Ishida, K]]
	[[Category: Hertweck, C]]		[[Category: Hertweck, C]]
	[[Category: Ishida, M]]		[[Category: Ishida, M]]
-	[[Category: Groll, M]]
	[[Category: Kries, H]]		[[Category: Kries, H]]
		+	[[Category: Trottmann, F]]
		+	[[Category: Groll, M]]

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

OCA — Wed, 11 Aug 2021 05:06:17 GMT

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

←Older revision

Revision as of 05:06, 11 August 2021

OCA: New page: '''Unreleased structure''' The entry 7pcn is ON HOLD until Paper Publication Authors: Trottmann, F., Ishida, K., Ishida, M., Kries, H., Groll, M., Hertweck, C. Description: BurG (holo)...

OCA — Wed, 11 Aug 2021 05:06:16 GMT

New page: '''Unreleased structure''' The entry 7pcn is ON HOLD until Paper Publication Authors: Trottmann, F., Ishida, K., Ishida, M., Kries, H., Groll, M., Hertweck, C. Description: BurG (holo)...

New page

'''Unreleased structure'''

The entry 7pcn is ON HOLD until Paper Publication

Authors: Trottmann, F., Ishida, K., Ishida, M., Kries, H., Groll, M., Hertweck, C.

Description: BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins
[[Category: Unreleased Structures]]
[[Category: Trottmann, F]]
[[Category: Ishida, K]]
[[Category: Hertweck, C]]
[[Category: Ishida, M]]
[[Category: Groll, M]]
[[Category: Kries, H]]