OCA at 17:36, 29 November 2023

OCA — Wed, 29 Nov 2023 17:36:25 GMT

←Older revision		Revision as of 17:36, 29 November 2023
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-	'''Unreleased structure'''

-	The ~~entry~~ 7w5i is ~~ON HOLD until Paper~~ Publication	+	==The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1==
		+	<StructureSection load='7w5i' size='340' side='right'caption='[[7w5i]], [[Resolution\|resolution]] 2.13Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7w5i]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Trichoderma_atroviride Trichoderma atroviride]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7W5I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7W5I FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.13Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FPP:FARNESYL+DIPHOSPHATE'>FPP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</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=7w5i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7w5i OCA], [https://pdbe.org/7w5i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7w5i RCSB], [https://www.ebi.ac.uk/pdbsum/7w5i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7w5i ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TATC6_HYPAT TATC6_HYPAT]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The biosynthesis of brasilane-type sesquiterpenoids (BTSs) attracts much attention owing to their unique skeleton of 5/6 bicyclic structure that contains five Me groups. Here, the crystal structures of a BTS cyclase TaTC6 from Trichoderma atroviride FKI-3849 and its complexes with farnesyl pyrophosphate (FPP) and analogue were reported. These structural information reveal that TaTC6 exploits a hydrophobic pocket to constrain the hydrocarbon region of FPP in a "U-shape" to facilitate the initial C1-C11 bond formation after pyrophosphate ionization. Following, four carbocations of reaction intermediates were molecularly docked into the hydrophobic pocket to reveal critical residues involved in the cyclization cascade. Finally, an S239-stabilized water molecule that is 3.9 A away from the C8 of the last allyl cation may conduct hydration to quench the reaction cascade. Mutating S239 to alanine led to ca. 40% reduction in activity compared with the wild-type enzyme. The conservation of the residues that constitute the hydrophobic pocket is also discussed. Overall, this study will give an insight into the mechanism of how the active site of STCs constrain the conformation of the flexible FPP and series allylic carbocations for the complicated-ring formation and unusual carbon rearrangement in the biosynthesis of BTSs.

-	~~Authors~~:	+	Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.,Wang T, Yang Y, He M, Liu M, Huang JW, Min J, Chen CC, Liu Y, Zhang L, Guo RT Int J Biol Macromol. 2022 Jun 1;209(Pt B):1784-1791. doi:, 10.1016/j.ijbiomac.2022.04.150. Epub 2022 Apr 30. PMID:35504416<ref>PMID:35504416</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 7w5i" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Trichoderma atroviride]]
		+	[[Category: Chen C]]
		+	[[Category: Guo R]]
		+	[[Category: Huang J]]
		+	[[Category: Ko T]]
		+	[[Category: Wang T]]
		+	[[Category: Yang Y]]
		+	[[Category: Zhang L]]

OCA at 09:55, 23 March 2022

OCA — Wed, 23 Mar 2022 09:55:44 GMT

←Older revision		Revision as of 09:55, 23 March 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7w5i is ON HOLD	+	The entry 7w5i is ON HOLD until Paper Publication

	Authors:		Authors:

OCA at 05:00, 9 March 2022

OCA — Wed, 09 Mar 2022 05:00:53 GMT

←Older revision		Revision as of 05:00, 9 March 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7w5i is ON HOLD ~~until Paper Publication~~	+	The entry 7w5i is ON HOLD

	Authors:		Authors:

OCA at 12:35, 29 December 2021

OCA — Wed, 29 Dec 2021 12:35:16 GMT

←Older revision		Revision as of 12:35, 29 December 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7w5i is ON HOLD	+	The entry 7w5i is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7w5i" [edit=sysop:move=sysop]

OCA — Wed, 08 Dec 2021 08:45:34 GMT

Protected "7w5i" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:45, 8 December 2021

OCA: New page: '''Unreleased structure''' The entry 7w5i is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 08 Dec 2021 08:45:33 GMT

New page: '''Unreleased structure''' The entry 7w5i is ON HOLD Authors: Description: Category: Unreleased Structures

New page