6z1l - Revision history

OCA at 13:40, 24 January 2024

OCA — Wed, 24 Jan 2024 13:40:00 GMT

←Older revision		Revision as of 13:40, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6z1l' size='340' side='right'caption='[[6z1l]], [[Resolution\|resolution]] 2.29Å' scene=''>		<StructureSection load='6z1l' size='340' side='right'caption='[[6z1l]], [[Resolution\|resolution]] 2.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6z1l]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Synthetic_construct_sequences~~ Synthetic construct ~~sequences~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z1L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6z1l]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z1L FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 2.29Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=6z1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z1l OCA], [https://pdbe.org/6z1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z1l RCSB], [https://www.ebi.ac.uk/pdbsum/6z1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z1l 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=6z1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z1l OCA], [https://pdbe.org/6z1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z1l RCSB], [https://www.ebi.ac.uk/pdbsum/6z1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z1l ProSAT]</span></td></tr>
	</table>		</table>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Synthetic construct ~~sequences~~]]	+	[[Category: Synthetic construct]]
-	[[Category: Levy~~, C W]]~~	+	[[Category: Levy CW]]
-	~~[[Category: Biosynthetic protein]]~~	+
-	~~[[Category: Engineered]]~~	+
-	~~[[Category: Evolved]]~~	+
-	~~[[Category: Morita-baylis-hillman reaction~~]]	+

OCA at 07:08, 2 February 2022

OCA — Wed, 02 Feb 2022 07:08:07 GMT

←Older revision		Revision as of 07:08, 2 February 2022
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	==A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12==		==A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12==
-	<StructureSection load='6z1l' size='340' side='right'caption='[[6z1l]]' scene=''>	+	<StructureSection load='6z1l' size='340' side='right'caption='[[6z1l]], [[Resolution\|resolution]] 2.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z1L FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6z1l]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct_sequences Synthetic construct sequences]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z1L FirstGlance]. <br>
-	</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=6z1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z1l OCA], [https://pdbe.org/6z1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z1l RCSB], [https://www.ebi.ac.uk/pdbsum/6z1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z1l ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=6z1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z1l OCA], [https://pdbe.org/6z1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z1l RCSB], [https://www.ebi.ac.uk/pdbsum/6z1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z1l ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The combination of computational design and directed evolution could offer a general strategy to create enzymes with new functions. So far, this approach has delivered enzymes for a handful of model reactions. Here we show that new catalytic mechanisms can be engineered into proteins to accelerate more challenging chemical transformations. Evolutionary optimization of a primitive design afforded an efficient and enantioselective enzyme (BH32.14) for the Morita-Baylis-Hillman (MBH) reaction. BH32.14 is suitable for preparative-scale transformations, accepts a broad range of aldehyde and enone coupling partners and is able to promote selective monofunctionalizations of dialdehydes. Crystallographic, biochemical and computational studies reveal that BH32.14 operates via a sophisticated catalytic mechanism comprising a His23 nucleophile paired with a judiciously positioned Arg124. This catalytic arginine shuttles between conformational states to stabilize multiple oxyanion intermediates and serves as a genetically encoded surrogate of privileged bidentate hydrogen-bonding catalysts (for example, thioureas). This study demonstrates that elaborate catalytic devices can be built from scratch to promote demanding multi-step processes not observed in nature.
		+
		+	Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.,Crawshaw R, Crossley AE, Johannissen L, Burke AJ, Hay S, Levy C, Baker D, Lovelock SL, Green AP Nat Chem. 2021 Dec 16. pii: 10.1038/s41557-021-00833-9. doi:, 10.1038/s41557-021-00833-9. PMID:34916595<ref>PMID:34916595</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6z1l" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Levy CW]]	+	[[Category: Synthetic construct sequences]]
		+	[[Category: Levy, C W]]
		+	[[Category: Biosynthetic protein]]
		+	[[Category: Engineered]]
		+	[[Category: Evolved]]
		+	[[Category: Morita-baylis-hillman reaction]]

OCA at 06:16, 25 August 2021

OCA — Wed, 25 Aug 2021 06:16:20 GMT

←Older revision		Revision as of 06:16, 25 August 2021
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-	'''Unreleased structure'''

-	~~The entry 6z1l is ON HOLD until Paper Publication~~	+	==A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12==
-		+	<StructureSection load='6z1l' size='340' side='right'caption='[[6z1l]]' scene=''>
-	~~Authors: Levy, C.W.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z1L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z1L FirstGlance]. <br>
-	~~Description:~~ A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12	+	</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=6z1l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z1l OCA], [https://pdbe.org/6z1l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z1l RCSB], [https://www.ebi.ac.uk/pdbsum/6z1l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z1l ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Levy~~, C.W~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Levy CW]]

OCA at 04:25, 7 April 2021

OCA — Wed, 07 Apr 2021 04:25:17 GMT

←Older revision		Revision as of 04:25, 7 April 2021
Line 5:		Line 5:
	Authors: Levy, C.W.		Authors: Levy, C.W.

-	Description: A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.9	+	Description: A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Levy, C.W]]		[[Category: Levy, C.W]]

OCA at 05:18, 3 June 2020

OCA — Wed, 03 Jun 2020 05:18:10 GMT

←Older revision		Revision as of 05:18, 3 June 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6z1l is ON HOLD	+	The entry 6z1l is ON HOLD until Paper Publication

	Authors: Levy, C.W.		Authors: Levy, C.W.

OCA: Protected "6z1l" [edit=sysop:move=sysop]

OCA — Wed, 20 May 2020 04:32:45 GMT

Protected "6z1l" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:32, 20 May 2020

OCA: New page: '''Unreleased structure''' The entry 6z1l is ON HOLD Authors: Levy, C.W. Description: A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.9 Category: Unreleased Structures...

OCA — Wed, 20 May 2020 04:32:43 GMT

New page: '''Unreleased structure''' The entry 6z1l is ON HOLD Authors: Levy, C.W. Description: A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.9 Category: Unreleased Structures...

New page

'''Unreleased structure'''

The entry 6z1l is ON HOLD

Authors: Levy, C.W.

Description: A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.9
[[Category: Unreleased Structures]]
[[Category: Levy, C.W]]