6j1t - Revision history

OCA at 09:58, 22 November 2023

OCA — Wed, 22 Nov 2023 09:58:31 GMT

←Older revision		Revision as of 09:58, 22 November 2023
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	<StructureSection load='6j1t' size='340' side='right'caption='[[6j1t]], [[Resolution\|resolution]] 1.78Å' scene=''>		<StructureSection load='6j1t' size='340' side='right'caption='[[6j1t]], [[Resolution\|resolution]] 1.78Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6j1t]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6J1T OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6J1T FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6j1t]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Moesziomyces_antarcticus Moesziomyces antarcticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6J1T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6J1T FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B7U:(2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide'>B7U</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.783Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Triacylglycerol_lipase Triacylglycerol lipase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.3 3.1.1.3] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B7U:(2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide'>B7U</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6j1t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6j1t OCA], [~~http~~://pdbe.org/6j1t PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6j1t RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6j1t PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6j1t 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=6j1t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6j1t OCA], [https://pdbe.org/6j1t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6j1t RCSB], [https://www.ebi.ac.uk/pdbsum/6j1t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6j1t ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/LIPB_PSEA2 LIPB_PSEA2]] Hydrolysis of triglycerides. Is very stereospecific both in hydrolysis and in organic synthesis and has a potentially important application in glucolipid synthesis.	+	[https://www.uniprot.org/uniprot/LIPB_PSEA2 LIPB_PSEA2] Hydrolysis of triglycerides. Is very stereospecific both in hydrolysis and in organic synthesis and has a potentially important application in glucolipid synthesis.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6j1t" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6j1t" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Lipase 3D Structures\|Lipase 3D Structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Triacylglycerol lipase~~]]	+	[[Category: Moesziomyces antarcticus]]
-	[[Category: Cen~~, Y X~~]]	+	[[Category: Cen YX]]
-	[[Category: Wu, Q]]	+	[[Category: Wu Q]]
-	[[Category: Zhou~~, J H]]~~	+	[[Category: Zhou JH]]
-	~~[[Category: Calb]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 08:17, 1 January 2020

OCA — Wed, 01 Jan 2020 08:17:02 GMT

←Older revision		Revision as of 08:17, 1 January 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6j1t is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue==
		+	<StructureSection load='6j1t' size='340' side='right'caption='[[6j1t]], [[Resolution\|resolution]] 1.78Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6j1t]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6J1T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6J1T FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B7U:(2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide'>B7U</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Triacylglycerol_lipase Triacylglycerol lipase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.3 3.1.1.3] </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=6j1t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6j1t OCA], [http://pdbe.org/6j1t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6j1t RCSB], [http://www.ebi.ac.uk/pdbsum/6j1t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6j1t ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LIPB_PSEA2 LIPB_PSEA2]] Hydrolysis of triglycerides. Is very stereospecific both in hydrolysis and in organic synthesis and has a potentially important application in glucolipid synthesis.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Enzymatic stereodivergent synthesis to access all possible product stereoisomers bearing multiple stereocenters is relatively undeveloped, although enzymes are being increasingly used in both academic and industrial areas. When two stereocenters and thus four stereoisomeric products are involved, obtaining stereodivergent enzyme mutants for individually accessing all four stereoisomers would be ideal. Although significant success has been achieved in directed evolution of enzymes in general, stereodivergent engineering of one enzyme into four highly stereocomplementary variants for obtaining the full complement of stereoisomers bearing multiple stereocenters remains a challenge. Using Candida antarctica lipase B (CALB) as a model, we report the protein engineering of this enzyme into four highly stereocomplementary variants needed for obtaining all four stereoisomers in transesterification reactions between racemic acids and racemic alcohols in organic solvents. By generating and screening less than 25 variants of each isomer, we achieved >90% selectivity for all of the four possible stereoisomers in the model reaction. This difficult feat was accomplished by developing a strategy dubbed "focused rational iterative site-specific mutagenesis" (FRISM) at sites lining the enzyme's binding pocket. The accumulation of single mutations by iterative site-specific mutagenesis using a restricted set of rationally chosen amino acids allows the formation of ultrasmall mutant libraries requiring minimal screening for stereoselectivity. The crystal structure of all stereodivergent CALB variants, flanked by MD simulations, uncovered the source of selectivity.

-	~~Authors~~:	+	Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.,Xu J, Cen Y, Singh W, Fan J, Wu L, Lin X, Zhou J, Huang M, Reetz MT, Wu Q J Am Chem Soc. 2019 May 15;141(19):7934-7945. doi: 10.1021/jacs.9b02709. Epub, 2019 May 2. PMID:31023008<ref>PMID:31023008</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6j1t" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Triacylglycerol lipase]]
		+	[[Category: Cen, Y X]]
		+	[[Category: Wu, Q]]
		+	[[Category: Zhou, J H]]
		+	[[Category: Calb]]
		+	[[Category: Hydrolase]]

OCA at 06:04, 30 January 2019

OCA — Wed, 30 Jan 2019 06:04:58 GMT

←Older revision		Revision as of 06:04, 30 January 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6j1t is ON HOLD	+	The entry 6j1t is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6j1t" [edit=sysop:move=sysop]

OCA — Wed, 09 Jan 2019 04:55:02 GMT

Protected "6j1t" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:55, 9 January 2019

OCA: New page: '''Unreleased structure''' The entry 6j1t is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 09 Jan 2019 04:55:00 GMT

New page: '''Unreleased structure''' The entry 6j1t is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6j1t is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]