6i9u - Revision history

OCA at 11:50, 24 January 2024

OCA — Wed, 24 Jan 2024 11:50:02 GMT

←Older revision		Revision as of 11:50, 24 January 2024
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	<StructureSection load='6i9u' size='340' side='right'caption='[[6i9u]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='6i9u' size='340' side='right'caption='[[6i9u]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i9u]] is a 10 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I9U OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6I9U FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i9u]] is a 10 chain structure with sequence from [https://en.wikipedia.org/wiki/Ilumatobacter_coccineus_YM16-304 Ilumatobacter coccineus YM16-304]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I9U FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6i9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i9u OCA], [~~http~~://pdbe.org/6i9u PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6i9u RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6i9u PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6i9u ProSAT]</span></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]] 2.4Å</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=6i9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i9u OCA], [https://pdbe.org/6i9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i9u RCSB], [https://www.ebi.ac.uk/pdbsum/6i9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i9u ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ilumatobacter coccineus YM16-304]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Blankenfeldt, W]]	+	[[Category: Blankenfeldt W]]
-	[[Category: Kluenemann, T]]	+	[[Category: Kluenemann T]]
-	[[Category: Schallmey, A]]	+	[[Category: Schallmey A]]
-	~~[[Category: Halohydrin dehalogenase]]~~	+
-	~~[[Category: Lyase~~]]	+

OCA at 05:52, 21 August 2019

OCA — Wed, 21 Aug 2019 05:52:57 GMT

←Older revision		Revision as of 05:52, 21 August 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6i9u is ~~ON HOLD~~	+	==Crystal structure of the halohydrin dehalogenase HheG T123W mutant==
		+	<StructureSection load='6i9u' size='340' side='right'caption='[[6i9u]], [[Resolution\|resolution]] 2.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6i9u]] is a 10 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I9U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I9U FirstGlance]. <br>
		+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6i9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i9u OCA], [http://pdbe.org/6i9u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i9u RCSB], [http://www.ebi.ac.uk/pdbsum/6i9u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i9u ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	HheG from Ilumatobacter coccineus is a halohydrin dehalogenase with synthetically useful activity in the ring opening of cyclic epoxides with various small anionic nucleophiles. This enzyme provides access to chiral beta-substituted alcohols that serve as building blocks in the pharmaceutical industry. Wild-type HheG suffers from low thermostability, which poses a significant drawback for potential applications. In an attempt to thermostabilize HheG by protein engineering, several single mutants at position 123 were identified which displayed up to 14 degrees C increased apparent melting temperatures and up to three-fold higher activity. Aromatic amino acids at position 123 resulted even in a slightly higher enantioselectivity. Crystal structures of variants T123W and T123G revealed a flexible loop opposite to amino acid 123. In variant T123G, this loop adopted two different positions resulting in an open or partially closed active site. Classical molecular dynamics simulations confirmed a high mobility of this loop. Moreover, in variant T123G this loop adopted a position much closer to residue 123 resulting in denser packing and increased buried surface area. Our results indicate an important role for position 123 in HheG and give first structural and mechanistic insight into the thermostabilizing effect of mutations T123W and T123G.

-	~~Authors~~:	+	Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity.,Solarczek J, Klunemann T, Brandt F, Schrepfer P, Wolter M, Jacob CR, Blankenfeldt W, Schallmey A Sci Rep. 2019 Mar 25;9(1):5106. doi: 10.1038/s41598-019-41498-2. PMID:30911023<ref>PMID:30911023</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6i9u" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Blankenfeldt, W]]
		+	[[Category: Kluenemann, T]]
		+	[[Category: Schallmey, A]]
		+	[[Category: Halohydrin dehalogenase]]
		+	[[Category: Lyase]]

OCA: Protected "6i9u" [edit=sysop:move=sysop]

OCA — Wed, 05 Dec 2018 05:00:21 GMT

Protected "6i9u" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:00, 5 December 2018

OCA: New page: '''Unreleased structure''' The entry 6i9u is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 05 Dec 2018 05:00:19 GMT

New page: '''Unreleased structure''' The entry 6i9u is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6i9u is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]