6yc8 - Revision history

OCA at 13:23, 24 January 2024

2024-01-24T13:23:51Z

←Older revision		Revision as of 13:23, 24 January 2024
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	==Crystal structure of KRED1-Pglu enzyme==		==Crystal structure of KRED1-Pglu enzyme==
-	<StructureSection load='6yc8' size='340' side='right'caption='[[6yc8]]' scene=''>	+	<StructureSection load='6yc8' size='340' side='right'caption='[[6yc8]], [[Resolution\|resolution]] 1.77Å' 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=6YC8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YC8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6yc8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Ogataea_glucozyma Ogataea glucozyma]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YC8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YC8 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=6yc8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yc8 OCA], [https://pdbe.org/6yc8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yc8 RCSB], [https://www.ebi.ac.uk/pdbsum/6yc8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yc8 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]] 1.77Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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=6yc8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yc8 OCA], [https://pdbe.org/6yc8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yc8 RCSB], [https://www.ebi.ac.uk/pdbsum/6yc8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yc8 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H4SN47_9ASCO A0A0H4SN47_9ASCO]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Benzil reductases are dehydrogenases preferentially active on aromatic 1,2-diketones, but the reasons for this peculiar substrate recognition have not yet been clarified. The benzil reductase (KRED1-Pglu) from the non-conventional yeast Pichia glucozyma showed excellent activity and stereoselectivity in the monoreduction of space-demanding aromatic 1,2-dicarbonyls, making this enzyme attractive as biocatalyst in organic chemistry. Structural insights into the stereoselective monoreduction of 1,2-diketones catalyzed by KRED1-Pglu were investigated starting from its 1.77 A resolution crystal structure, followed by QM and classical calculations; this study allowed for the identification and characterization of the KRED1-Pglu reactive site. Once identified the recognition elements involved in the stereoselective desymmetrization of bulky 1,2-dicarbonyls mediated by KRED1-Pglu, a mechanism was proposed together with an in silico prediction of substrates reactivity.
		+
		+	Structural insights into the desymmetrization of bulky 1,2-dicarbonyls through enzymatic monoreduction.,Rabuffetti M, Cannazza P, Contente ML, Pinto A, Romano D, Hoyos P, Alcantara AR, Eberini I, Laurenzi T, Gourlay L, Di Pisa F, Molinari F Bioorg Chem. 2021 Jan 11;108:104644. doi: 10.1016/j.bioorg.2021.104644. PMID:33486371<ref>PMID:33486371</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6yc8" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Ogataea glucozyma]]
	[[Category: Di Pisa F]]		[[Category: Di Pisa F]]

OCA at 10:56, 10 February 2021

2021-02-10T10:56:24Z

←Older revision		Revision as of 10:56, 10 February 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 6yc8 ~~is ON HOLD until Paper Publication~~	+	==Crystal structure of KRED1-Pglu enzyme==
-		+	<StructureSection load='6yc8' size='340' side='right'caption='[[6yc8]]' scene=''>
-	~~Authors~~: ~~Di Pisa, F~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YC8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YC8 FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of KRED1~~-~~Pglu enzyme~~	+	</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=6yc8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yc8 OCA], [https://pdbe.org/6yc8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yc8 RCSB], [https://www.ebi.ac.uk/pdbsum/6yc8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yc8 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Di Pisa, F]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Di Pisa F]]

OCA at 07:16, 22 July 2020

2020-07-22T07:16:46Z

←Older revision		Revision as of 07:16, 22 July 2020
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6yc8 is ON HOLD	+	The entry 6yc8 is ON HOLD until Paper Publication

	Authors: Di Pisa, F.		Authors: Di Pisa, F.

OCA: Protected "6yc8" [edit=sysop:move=sysop]

2020-03-27T08:37:39Z

Protected "6yc8" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:37, 27 March 2020

OCA: New page: '''Unreleased structure''' The entry 6yc8 is ON HOLD Authors: Di Pisa, F. Description: Crystal structure of KRED1-Pglu enzyme Category: Unreleased Structures [[Category: Di Pisa, F...

2020-03-27T08:37:38Z

New page: '''Unreleased structure''' The entry 6yc8 is ON HOLD Authors: Di Pisa, F. Description: Crystal structure of KRED1-Pglu enzyme Category: Unreleased Structures [[Category: Di Pisa, F...

New page

'''Unreleased structure'''

The entry 6yc8 is ON HOLD

Authors: Di Pisa, F.

Description: Crystal structure of KRED1-Pglu enzyme
[[Category: Unreleased Structures]]
[[Category: Di Pisa, F]]