5kvc - Revision history

OCA at 10:56, 27 September 2023

OCA — Wed, 27 Sep 2023 10:56:49 GMT

←Older revision		Revision as of 10:56, 27 September 2023
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	<StructureSection load='5kvc' size='340' side='right'caption='[[5kvc]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='5kvc' size='340' side='right'caption='[[5kvc]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5kvc]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"achromobacter_radiobacter"_(beijerinck_and_van_delden_1902)_bergey_et_al._1934 "achromobacter radiobacter" (beijerinck and van delden 1902) bergey et al. 1934~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KVC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5KVC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5kvc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Agrobacterium_tumefaciens Agrobacterium tumefaciens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KVC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5KVC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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]] 1.501Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">hheC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=358 "Achromobacter radiobacter" (Beijerinck and van Delden 1902) Bergey et al. 1934])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></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=5kvc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kvc OCA], [~~http~~://pdbe.org/5kvc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5kvc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5kvc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5kvc 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=5kvc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kvc OCA], [https://pdbe.org/5kvc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5kvc RCSB], [https://www.ebi.ac.uk/pdbsum/5kvc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5kvc ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q93D82_RHIRD Q93D82_RHIRD]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Agrobacterium tumefaciens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Lago, M ~~Dal~~]]	+	[[Category: Dal Lago M]]
-	[[Category: ~~Scheltinga, A C.~~Terwisscha van]]	+	[[Category: Terwisscha van Scheltinga AC]]
-	~~[[Category: Engineered mutant]]~~	+
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Thermostable mutant~~]]	+

OCA at 06:26, 16 October 2019

OCA — Wed, 16 Oct 2019 06:26:12 GMT

←Older revision		Revision as of 06:26, 16 October 2019
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	==Thermostable mutant of halohydrin dehalogenase (HheC)==		==Thermostable mutant of halohydrin dehalogenase (HheC)==
-	<StructureSection load='5kvc' size='340' side='right' caption='[[5kvc]], [[Resolution\|resolution]] 1.50Å' scene=''>	+	<StructureSection load='5kvc' size='340' side='right'caption='[[5kvc]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5kvc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KVC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KVC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5kvc]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"achromobacter_radiobacter"_(beijerinck_and_van_delden_1902)_bergey_et_al._1934 "achromobacter radiobacter" (beijerinck and van delden 1902) bergey et al. 1934]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KVC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KVC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">hheC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=358 "Achromobacter radiobacter" (Beijerinck and van Delden 1902) Bergey et al. 1934])</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=5kvc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kvc OCA], [http://pdbe.org/5kvc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5kvc RCSB], [http://www.ebi.ac.uk/pdbsum/5kvc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5kvc ProSAT]</span></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=5kvc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kvc OCA], [http://pdbe.org/5kvc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5kvc RCSB], [http://www.ebi.ac.uk/pdbsum/5kvc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5kvc ProSAT]</span></td></tr>
	</table>		</table>
Line 18:		Line 19:

	==See Also==		==See Also==
-	*[[Dehalogenase\|Dehalogenase]]	+	*[[Dehalogenase 3D structures\|Dehalogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Lago, M Dal]]		[[Category: Lago, M Dal]]
	[[Category: Scheltinga, A C.Terwisscha van]]		[[Category: Scheltinga, A C.Terwisscha van]]

OCA at 06:09, 4 May 2017

OCA — Thu, 04 May 2017 06:09:27 GMT

←Older revision		Revision as of 06:09, 4 May 2017
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	</div>		</div>
	<div class="pdbe-citations 5kvc" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5kvc" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dehalogenase\|Dehalogenase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 16:30, 18 January 2017

OCA — Wed, 18 Jan 2017 16:30:39 GMT

←Older revision		Revision as of 16:30, 18 January 2017
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-	'''Unreleased structure'''

-	~~The entry~~ 5kvc is ~~ON HOLD until Paper~~ Publication	+	==Thermostable mutant of halohydrin dehalogenase (HheC)==
		+	<StructureSection load='5kvc' size='340' side='right' caption='[[5kvc]], [[Resolution\|resolution]] 1.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5kvc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KVC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KVC FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></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=5kvc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kvc OCA], [http://pdbe.org/5kvc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5kvc RCSB], [http://www.ebi.ac.uk/pdbsum/5kvc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5kvc ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	To improve the applicability of halohydrin dehalogenase as a catalyst for reactions in the presence of organic cosolvents, we explored a computational library design strategy (Framework for Rapid Enzyme Stabilization by Computational libraries) that involves discovery and in silico evaluation of stabilizing mutations. Energy calculations, disulfide bond predictions and molecular dynamics simulations identified 218 point mutations and 35 disulfide bonds with predicted stabilizing effects. Experiments confirmed 29 stabilizing point mutations, most of which were located in two distinct regions, whereas introduction of disulfide bonds was not effective. Combining the best mutations resulted in a 12-fold mutant (HheC-H12) with a 28 degrees C higher apparent melting temperature and a remarkable increase in resistance to cosolvents. This variant also showed a higher optimum temperature for catalysis while activity at low temperature was preserved. Mutant H12 was used as a template for the introduction of mutations that enhance enantioselectivity or activity. Crystal structures showed that the structural changes in the H12 mutant mostly agreed with the computational predictions and that the enhanced stability was mainly due to mutations that redistributed surface charges and improved interactions between subunits, the latter including better interactions of water molecules at the subunit interfaces.

-	~~Authors:~~ Dal Lago, M., Terwisscha van Scheltinga, A.C.	+	A robust cosolvent-compatible halohydrin dehalogenase by computational library design.,Arabnejad H, Dal Lago M, Jekel PA, Floor RJ, Thunnissen AW, Terwisscha van Scheltinga AC, Wijma HJ, Janssen DB Protein Eng Des Sel. 2016 Dec 19. doi: 10.1093/protein/gzw068. PMID:27999093<ref>PMID:27999093</ref>

-	~~Description: Thermostable mutant~~ of ~~halohydrin dehalogenase (HheC)~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Terwisscha Van~~ Scheltinga, A.C]]	+	<div class="pdbe-citations 5kvc" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Dal Lago, M~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Lago, M Dal]]
		+	[[Category: Scheltinga, A C.Terwisscha van]]
		+	[[Category: Engineered mutant]]
		+	[[Category: Lyase]]
		+	[[Category: Thermostable mutant]]

OCA at 14:00, 19 October 2016

OCA — Wed, 19 Oct 2016 14:00:26 GMT

←Older revision		Revision as of 14:00, 19 October 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5kvc is ON HOLD	+	The entry 5kvc is ON HOLD until Paper Publication

	Authors: Dal Lago, M., Terwisscha van Scheltinga, A.C.		Authors: Dal Lago, M., Terwisscha van Scheltinga, A.C.

OCA: Protected "5kvc" [edit=sysop:move=sysop]

OCA — Tue, 26 Jul 2016 12:59:15 GMT

Protected "5kvc" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:59, 26 July 2016

OCA: New page: '''Unreleased structure''' The entry 5kvc is ON HOLD Authors: Dal Lago, M., Terwisscha van Scheltinga, A.C. Description: Thermostable mutant of halohydrin dehalogenase (HheC) [[Categor...

OCA — Tue, 26 Jul 2016 12:59:14 GMT

New page: '''Unreleased structure''' The entry 5kvc is ON HOLD Authors: Dal Lago, M., Terwisscha van Scheltinga, A.C. Description: Thermostable mutant of halohydrin dehalogenase (HheC) [[Categor...

New page

'''Unreleased structure'''

The entry 5kvc is ON HOLD

Authors: Dal Lago, M., Terwisscha van Scheltinga, A.C.

Description: Thermostable mutant of halohydrin dehalogenase (HheC)
[[Category: Unreleased Structures]]
[[Category: Terwisscha Van Scheltinga, A.C]]
[[Category: Dal Lago, M]]