8INH

ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase

Summary for 8INH

• Entry DOI: 10.2210/pdb8inh/pdb
• Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE (3 entities in total)
• Functional Keywords: glycosyltransferase, plant protein
• Biological source: Ziziphus jujuba var. spinosa
• Total number of polymer chains: 2
• Total formula weight: 108037.06

Authors

Wang, Z.L.,Wang, H.D.,Li, F.D.,Ye, M. (deposition date: 2023-03-09, release date: 2023-04-19, Last modification date: 2023-06-14)

Primary citation

Wang, Z.L.,Wei, W.,Wang, H.D.,Zhou, J.J.,Wang, H.T.,Chen, K.,Wang, R.S.,Li, F.D.,Qiao, X.,Zhou, H.,Liang, Y.,Ye, M.
Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa.
Chem Sci, 14:4418-4425, 2023

PubMed Abstract: A highly efficient and promiscuous 7,4'-di--glycosyltransferase ZjOGT3 was discovered from the medicinal plant var. . ZjOGT3 could sequentially catalyse 4'- and 7--glycosylation of flavones to produce 7,4'-di--glycosides with obvious regio-selectivity. For 7,4'-dihydroxyl flavanones and 3--glycosylated 7,4'-dihydroxyl flavones, ZjOGT3 selectively catalyses 7--glycosylation. The crystal structure of ZjOGT3 was solved. Structural analysis, DFT calculations, MD simulations, and site-directed mutagenesis reveal that the regio-selectivity is mainly controlled by the enzyme microenvironment for 7,4'-dihydroxyl flavones and 3--glycosylated 7,4'-dihydroxyl flavones. For 7,4'-dihydroxyl flavanones, the selectivity is mainly controlled by intrinsic reactivity. ZjOGT3 is the first plant flavonoid 7,4'-di--glycosyltransferase with a crystal structure. This work could help understand the catalytic mechanisms of multi-site glycosyltransferases and provides an efficient approach to synthesise -glycosides with medicinal potential.

PubMed: 37123177
DOI: 10.1039/d2sc06504e

Experimental method

X-RAY DIFFRACTION (2.5 Å)