8wvd: Difference between revisions

Line 1:

~~'''Unreleased structure'''~~

~~The entry~~ 8wvd is ~~ON HOLD until Paper~~ Publication

==Crystal structure of Glycosyltransferase in complex with UD1==

== Structural highlights ==

<table><tr><td colspan='2'>[[8wvd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Siraitia_grosvenorii Siraitia grosvenorii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8WVD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8WVD FirstGlance]. <br>

</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.66Å</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=8wvd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8wvd OCA], [https://pdbe.org/8wvd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8wvd RCSB], [https://www.ebi.ac.uk/pdbsum/8wvd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8wvd ProSAT]</span></td></tr>

</table>

== Function ==

[https://www.uniprot.org/uniprot/74AC1_SIRGR 74AC1_SIRGR] Catalyzes the transfer of a glucose moiety to the C-3 hydroxyl of mogrol to form mogroside IE (PubMed:25759326, Ref.3). Besides mogrol, UGT74AC1 also shows activity in vitro with quercetin and naringenin as substrate (PubMed:25759326).<ref>PMID:25759326</ref> <ref>PMID:25759326</ref>

== Publication Abstract from PubMed ==

The addition of the O-linked N-acetylglucosamine (O-GlcNAc) is a significant modification for active molecules, such as proteins, carbohydrates, and natural products. However, the synthesis of terpenoid glycoside derivatives decorated with GlcNAc remains a challenging task due to the absence of glycosyltransferases, key enzymes for catalyzing the transfer of GlcNAc to terpenoids. In this study, we demonstrated that the enzyme mutant UGT74AC1(T79Y/L48M/R28H/L109I/S15A/M76L/H47R) efficiently transferred GlcNAc from uridine diphosphate (UDP)-GlcNAc to a variety of terpenoids. This powerful enzyme was employed to synthesize GlcNAc-decorated derivatives of terpenoids, including mogrol, steviol, andrographolide, protopanaxadiol, glycyrrhetinic acid, ursolic acid, and betulinic acid for the first time. To unravel the mechanism of UDP-GlcNAc recognition, we determined the X-ray crystal structure of the inactivated mutant UGT74AC1(His18A/Asp111A) in complex with UDP-GlcNAc at a resolution of 1.66 A. Through molecular dynamic simulation and activity analysis, we revealed the molecular mechanism and catalytically important amino acids directly involved in the recognition of UDP-GlcNAc. Overall, this study not only provided a potent biocatalyst capable of glycodiversifying natural products but also elucidated the structural basis for UDP-GlcNAc recognition by glycosyltransferases.

~~Authors~~:

Enzymatic Synthesis of Novel Terpenoid Glycoside Derivatives Decorated with N-Acetylglucosamine Catalyzed by UGT74AC1.,Li J, Li R, Shang N, Men Y, Cai Y, Zeng Y, Liu W, Yang J, Sun Y J Agric Food Chem. 2024 Jun 26;72(25):14255-14263. doi: 10.1021/acs.jafc.4c02832. , Epub 2024 Jun 12. PMID:38867497<ref>PMID:38867497</ref>

~~Description~~:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

[[Category: ~~Unreleased~~ Structures]]

</div>

== References ==

__TOC__

</StructureSection>

[[Category: Large Structures]]

[[Category: Siraitia grosvenorii]]

[[Category: Li J]]

[[Category: Liu WD]]

[[Category: Shan N]]

[[Category: Sun YX]]

[[Category: Yang JG]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 8wvd is ON HOLD  until Paper Publication
+==Crystal structure of Glycosyltransferase in complex with UD1==
+<StructureSection load='8wvd' size='340' side='right'caption='[[8wvd]], [[Resolution|resolution]] 1.66&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[8wvd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Siraitia_grosvenorii Siraitia grosvenorii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8WVD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8WVD FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.66&#8491;</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=8wvd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8wvd OCA], [https://pdbe.org/8wvd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8wvd RCSB], [https://www.ebi.ac.uk/pdbsum/8wvd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8wvd ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/74AC1_SIRGR 74AC1_SIRGR] Catalyzes the transfer of a glucose moiety to the C-3 hydroxyl of mogrol to form mogroside IE (PubMed:25759326, Ref.3). Besides mogrol, UGT74AC1 also shows activity in vitro with quercetin and naringenin as substrate (PubMed:25759326).<ref>PMID:25759326</ref> <ref>PMID:25759326</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The addition of the O-linked N-acetylglucosamine (O-GlcNAc) is a significant modification for active molecules, such as proteins, carbohydrates, and natural products. However, the synthesis of terpenoid glycoside derivatives decorated with GlcNAc remains a challenging task due to the absence of glycosyltransferases, key enzymes for catalyzing the transfer of GlcNAc to terpenoids. In this study, we demonstrated that the enzyme mutant UGT74AC1(T79Y/L48M/R28H/L109I/S15A/M76L/H47R) efficiently transferred GlcNAc from uridine diphosphate (UDP)-GlcNAc to a variety of terpenoids. This powerful enzyme was employed to synthesize GlcNAc-decorated derivatives of terpenoids, including mogrol, steviol, andrographolide, protopanaxadiol, glycyrrhetinic acid, ursolic acid, and betulinic acid for the first time. To unravel the mechanism of UDP-GlcNAc recognition, we determined the X-ray crystal structure of the inactivated mutant UGT74AC1(His18A/Asp111A) in complex with UDP-GlcNAc at a resolution of 1.66 A. Through molecular dynamic simulation and activity analysis, we revealed the molecular mechanism and catalytically important amino acids directly involved in the recognition of UDP-GlcNAc. Overall, this study not only provided a potent biocatalyst capable of glycodiversifying natural products but also elucidated the structural basis for UDP-GlcNAc recognition by glycosyltransferases.
-Authors:
+Enzymatic Synthesis of Novel Terpenoid Glycoside Derivatives Decorated with N-Acetylglucosamine Catalyzed by UGT74AC1.,Li J, Li R, Shang N, Men Y, Cai Y, Zeng Y, Liu W, Yang J, Sun Y J Agric Food Chem. 2024 Jun 26;72(25):14255-14263. doi: 10.1021/acs.jafc.4c02832. , Epub 2024 Jun 12. PMID:38867497<ref>PMID:38867497</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 8wvd" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Siraitia grosvenorii]]
+[[Category: Li J]]
+[[Category: Liu WD]]
+[[Category: Shan N]]
+[[Category: Sun YX]]
+[[Category: Yang JG]]