8e19 - Revision history

OCA at 17:33, 18 October 2023

OCA — Wed, 18 Oct 2023 17:33:05 GMT

←Older revision		Revision as of 17:33, 18 October 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8e19]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._CB03234 Streptomyces sp. CB03234]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8E19 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8E19 FirstGlance]. <br>		<table><tr><td colspan='2'>[[8e19]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._CB03234 Streptomyces sp. CB03234]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8E19 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8E19 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</scene>, <scene name='pdbligand=U8L:(1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde'>U8L</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]] 2.03Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</scene>, <scene name='pdbligand=U8L:(1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde'>U8L</scene></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=8e19 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8e19 OCA], [https://pdbe.org/8e19 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8e19 RCSB], [https://www.ebi.ac.uk/pdbsum/8e19 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8e19 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=8e19 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8e19 OCA], [https://pdbe.org/8e19 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8e19 RCSB], [https://www.ebi.ac.uk/pdbsum/8e19 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8e19 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:35, 9 November 2022

OCA — Wed, 09 Nov 2022 07:35:44 GMT

←Older revision		Revision as of 07:35, 9 November 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8e19 is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of TnmK1 complexed with TNM H==
		+	<StructureSection load='8e19' size='340' side='right'caption='[[8e19]], [[Resolution\|resolution]] 2.03Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8e19]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._CB03234 Streptomyces sp. CB03234]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8E19 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8E19 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</scene>, <scene name='pdbligand=U8L:(1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde'>U8L</scene></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=8e19 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8e19 OCA], [https://pdbe.org/8e19 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8e19 RCSB], [https://www.ebi.ac.uk/pdbsum/8e19 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8e19 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A125SA14_9ACTN A0A125SA14_9ACTN]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	First discovered in 1989, the anthraquinone-fused enediynes are a class of DNA-cleaving bacterial natural products composed of a DNA-intercalating anthraquinone moiety and a 10-membered enediyne warhead. However, until recently, there has been a lack of genetically amenable hosts and sequenced biosynthetic gene clusters available for solving the biosynthetic questions surrounding these molecules. Herein, we have identified and biochemically and structurally characterized TnmK1, a member of the alpha/beta-hydrolase fold superfamily responsible for the C-C bond formation linking the anthraquinone moiety and enediyne core together in tiancimycin (TNM) biosynthesis. In doing so, two intermediates, TNM H and TNM I, in anthraquinone-fused enediyne biosynthesis, containing an unprecedented cryptic C16 aldehyde group, were identified. This aldehyde plays a key role in the TnmK1-catalyzed C-C bond formation via a Michael addition, representing the first example of this chemistry for the alpha/beta-hydrolase fold superfamily. Additionally, TNM I shows sub-nanomolar cytotoxicity against selected cancer cell lines, indicating a new mechanism of action compared to previously known anthraquinone-fused enediynes. Together, the findings from this study are expected to impact enzymology, natural product biosynthesis, and future efforts at enediyne discovery and drug development.

-	~~Authors: Liu, Y.~~-C., Gui, C., Shen, B.	+	Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.,Gui C, Kalkreuter E, Liu YC, Adhikari A, Teijaro CN, Yang D, Chang C, Shen B J Am Chem Soc. 2022 Oct 24. doi: 10.1021/jacs.2c08957. PMID:36279548<ref>PMID:36279548</ref>

-	~~Description: Crystal structure~~ of ~~TnmK1 complexed with TNM H~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Liu, Y~~.-C]]	+	<div class="pdbe-citations 8e19" style="background-color:#fffaf0;"></div>
-	[[Category: Gui, C]]	+	== References ==
-	[[Category: Shen, B]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Streptomyces sp. CB03234]]
		+	[[Category: Gui C]]
		+	[[Category: Liu Y-C]]
		+	[[Category: Shen B]]

OCA at 05:45, 14 September 2022

OCA — Wed, 14 Sep 2022 05:45:25 GMT

←Older revision		Revision as of 05:45, 14 September 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8e19 is ON HOLD	+	The entry 8e19 is ON HOLD until Paper Publication

	Authors: Liu, Y.-C., Gui, C., Shen, B.		Authors: Liu, Y.-C., Gui, C., Shen, B.

OCA: Protected "8e19" [edit=sysop:move=sysop]

OCA — Thu, 18 Aug 2022 04:13:19 GMT

Protected "8e19" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:13, 18 August 2022

OCA: New page: '''Unreleased structure''' The entry 8e19 is ON HOLD Authors: Liu, Y.-C., Gui, C., Shen, B. Description: Crystal structure of TnmK1 complexed with TNM H [[Category: Unreleased Structur...

OCA — Thu, 18 Aug 2022 04:13:16 GMT

New page: '''Unreleased structure''' The entry 8e19 is ON HOLD Authors: Liu, Y.-C., Gui, C., Shen, B. Description: Crystal structure of TnmK1 complexed with TNM H [[Category: Unreleased Structur...

New page

'''Unreleased structure'''

The entry 8e19 is ON HOLD

Authors: Liu, Y.-C., Gui, C., Shen, B.

Description: Crystal structure of TnmK1 complexed with TNM H
[[Category: Unreleased Structures]]
[[Category: Liu, Y.-C]]
[[Category: Gui, C]]
[[Category: Shen, B]]