6esu - Revision history

OCA at 09:14, 11 November 2020

OCA — Wed, 11 Nov 2020 09:14:52 GMT

←Older revision		Revision as of 09:14, 11 November 2020
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	==Artificial imine reductase mutant S112A-N118P-K121A-S122M==		==Artificial imine reductase mutant S112A-N118P-K121A-S122M==
-	<StructureSection load='6esu' size='340' side='right' caption='[[6esu]], [[Resolution\|resolution]] 1.78Å' scene=''>	+	<StructureSection load='6esu' size='340' side='right'caption='[[6esu]], [[Resolution\|resolution]] 1.78Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6esu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/As_4.1583 As 4.1583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ESU OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6ESU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6esu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/As_4.1583 As 4.1583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ESU OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ESU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6IR:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide'>6IR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=IR:IRIDIUM+ION'>IR</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6IR:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide'>6IR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=IR:IRIDIUM+ION'>IR</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ess\|6ess]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ess\|6ess]]</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=6esu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6esu OCA], [http://pdbe.org/6esu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6esu RCSB], [http://www.ebi.ac.uk/pdbsum/6esu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6esu ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6esu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6esu OCA], [http://pdbe.org/6esu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6esu RCSB], [http://www.ebi.ac.uk/pdbsum/6esu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6esu ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6esu" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6esu" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Avidin 3D structures\|Avidin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 24:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: As 4 1583]]		[[Category: As 4 1583]]
		+	[[Category: Large Structures]]
	[[Category: Alonso-Cotchico, L]]		[[Category: Alonso-Cotchico, L]]
	[[Category: Heinisch, T]]		[[Category: Heinisch, T]]

OCA at 20:57, 24 January 2018

OCA — Wed, 24 Jan 2018 20:57:52 GMT

←Older revision		Revision as of 20:57, 24 January 2018
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	<StructureSection load='6esu' size='340' side='right' caption='[[6esu]], [[Resolution\|resolution]] 1.78Å' scene=''>		<StructureSection load='6esu' size='340' side='right' caption='[[6esu]], [[Resolution\|resolution]] 1.78Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6esu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ESU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ESU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6esu]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/As_4.1583 As 4.1583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ESU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ESU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6IR:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide'>6IR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=IR:IRIDIUM+ION'>IR</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6IR:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide'>6IR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=IR:IRIDIUM+ION'>IR</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ess\|6ess]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ess\|6ess]]</td></tr>
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: As 4 1583]]
	[[Category: Alonso-Cotchico, L]]		[[Category: Alonso-Cotchico, L]]
	[[Category: Heinisch, T]]		[[Category: Heinisch, T]]

OCA at 05:53, 3 January 2018

OCA — Wed, 03 Jan 2018 05:53:05 GMT

←Older revision		Revision as of 05:53, 3 January 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6esu is ~~ON HOLD until Paper~~ Publication	+	==Artificial imine reductase mutant S112A-N118P-K121A-S122M==
		+	<StructureSection load='6esu' size='340' side='right' caption='[[6esu]], [[Resolution\|resolution]] 1.78Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6esu]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ESU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ESU FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6IR:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide'>6IR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=IR:IRIDIUM+ION'>IR</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6ess\|6ess]]</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=6esu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6esu OCA], [http://pdbe.org/6esu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6esu RCSB], [http://www.ebi.ac.uk/pdbsum/6esu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6esu ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/SAV_STRAV SAV_STRAV]] The biological function of streptavidin is not known. Forms a strong non-covalent specific complex with biotin (one molecule of biotin per subunit of streptavidin).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Artificial metalloenzymes, resulting from incorporation of a metal cofactor within a host protein, have received increasing attention in the last decade. Herein, we report on the directed evolution of an Artificial Transfer Hydrogenase (ATHase) based on the biotin-streptavidin technology using a straightforward optimized protocol allowing screening in cell free extracts. Our efforts yielded two streptavidin isoforms with improved catalytic activity and selectivity for the reduction of cyclic imines. Gratifyingly, the evolved ATHases proved stable under biphasic catalytic conditions. The X-ray structure analysis reveals that introducing bulky residues within the active site results in flexibility changes of the cofactor, thus increasing exposure of the metal to the protein surface and leading to a reversal of enantioselectivity. This hypothesis was confirmed by a multiscale approach based mostly on molecular dynamics and protein-ligand dockings.

-	~~Authors: Hestericova~~, M., Heinisch, T., Alonso-Cotchico, L., Marechal~~, J.-D.~~, Vidossich, P., Ward~~, T~~.R.	+	Directed Evolution of Artificial Imine Reductase.,Hestericova M, Heinisch T, Alonso-Cotchico L, Marechal JD, Vidossich P, Ward TR Angew Chem Int Ed Engl. 2017 Dec 19. doi: 10.1002/anie.201711016. PMID:29265726<ref>PMID:29265726</ref>

-	~~Description: Artificial imine reductase mutant S112A~~-~~N118P~~-~~K121A-S122M~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 6esu" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Alonso-Cotchico, L]]		[[Category: Alonso-Cotchico, L]]
-	[[Category: ~~Ward~~, T.R]]	+	[[Category: Heinisch, T]]
	[[Category: Hestericova, M]]		[[Category: Hestericova, M]]
		+	[[Category: Marechal, J D]]
	[[Category: Vidossich, P]]		[[Category: Vidossich, P]]
-	[[Category: ~~Heinisch~~, T]]	+	[[Category: Ward, T R]]
-	[[Category: ~~Marechal, J.~~-D]]	+	[[Category: Beta-barrel]]
		+	[[Category: Biotin-binding protein]]
		+	[[Category: Streptavidin]]

OCA at 06:40, 8 November 2017

OCA — Wed, 08 Nov 2017 06:40:39 GMT

←Older revision		Revision as of 06:40, 8 November 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6esu is ON HOLD	+	The entry 6esu is ON HOLD until Paper Publication

	Authors: Hestericova, M., Heinisch, T., Alonso-Cotchico, L., Marechal, J.-D., Vidossich, P., Ward, T.R.		Authors: Hestericova, M., Heinisch, T., Alonso-Cotchico, L., Marechal, J.-D., Vidossich, P., Ward, T.R.

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

OCA — Wed, 01 Nov 2017 05:05:47 GMT

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

←Older revision

Revision as of 05:05, 1 November 2017

OCA: New page: '''Unreleased structure''' The entry 6esu is ON HOLD Authors: Hestericova, M., Heinisch, T., Alonso-Cotchico, L., Marechal, J.-D., Vidossich, P., Ward, T.R. Description: Artificial imi...

OCA — Wed, 01 Nov 2017 05:05:46 GMT

New page: '''Unreleased structure''' The entry 6esu is ON HOLD Authors: Hestericova, M., Heinisch, T., Alonso-Cotchico, L., Marechal, J.-D., Vidossich, P., Ward, T.R. Description: Artificial imi...

New page

'''Unreleased structure'''

The entry 6esu is ON HOLD

Authors: Hestericova, M., Heinisch, T., Alonso-Cotchico, L., Marechal, J.-D., Vidossich, P., Ward, T.R.

Description: Artificial imine reductase mutant S112A-N118P-K121A-S122M
[[Category: Unreleased Structures]]
[[Category: Alonso-Cotchico, L]]
[[Category: Ward, T.R]]
[[Category: Hestericova, M]]
[[Category: Vidossich, P]]
[[Category: Heinisch, T]]
[[Category: Marechal, J.-D]]