Structural characterization of a flavonoid glycosyltransferase from Withania somnifera.

Santosh Kumar Ramachandra Jadhav,Krunal Arvind Patel,Bashir Mohammad Khan,Bhushan Bhalchandra Dholakia

doi:10.6026/97320630008943

Santosh Kumar Ramachandra Jadhav, Krunal Arvind Patel + Show 2 more

Open Access

https://doi.org/10.6026/97320630008943

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Journal: Bioinformation	Publication Date: Oct 1, 2012
Citations: 19	License type: cc-by

Abstract

Medicinal plants are extensively utilized in traditional and herbal medicines, both in India and around the world due to the presence of diverse low molecular weight natural products such as flavonoids, alkaloids, terpenoids and sterols. Flavonoids which have health benefits for humans are the large class of phenylpropanoid-derived secondary metabolites and are mostly glycosylated by UDP-glycosyltransferases (UGTs). Although large numbers of different UGTs are known from higher plants, very few protein structures have been reported till now. In the present study, the three-dimensional model of flavonoid specific glycosyltransferases (WsFGT) from Withania somnifera was constructed based on the crystal structure of plant UGTs. The resulted model was assessed by various tools and the final refined model revealed GT-B type fold. Further, to understand the sugar donors and acceptors interactions with the active site of WsFGT, docking studies were performed. The amino acids from conserved PSPG box were interacted with sugar donor while His18, Asp110, Trp352 and Asn353 were important for catalytic function. This structural and docking information will be useful to understand the glycosylation mechanism of flavonoid glucosides.AbbreviationsDOPE - Discrete Optimized Potential Energy, PDB - Protein Data Bank, PSPG - Plant Secondary Product Glycosyltransferase, RMSD - Root Mean Squared Deviation, UDP - Uridine diphosphate, UGT - UDP-glycosyltransferases.

Highlights

Medicinal plants are extensively utilized in traditional and herbal medicines, both in India and around the world due to the presence of diverse low molecular weight natural products such as flavonoids, alkaloids, terpenoids and sterols
Plants contain a very large number of UDP glycosyltransferases have been grouped into 91 families on the basis of sequence (UGTs) that are involved in the glycosylation of natural similarities
This PSPG box consists of 44 amino acids and is properties such as bioactivity, stability, solubility, sub cellular believed to be involved in binding of the activated sugar localization and binding properties [2]

Summary

Introduction

Medicinal plants are extensively utilized in traditional and herbal medicines, both in India and around the world due to the presence of diverse low molecular weight natural products such as flavonoids, alkaloids, terpenoids and sterols. The amino acids from conserved PSPG box were interacted with sugar donor while His, Asp110, Trp352 and Asn353 were important for catalytic function This structural and docking information will be useful to understand the glycosylation mechanism of flavonoid glucosides. Glycosylation may lead to reduction in the toxicity plants [4] and contains a plant secondary product of endogenous and exogenous toxic substances in plants by glycosyltransferase (PSPG) box, close to the C-terminal end of adding a sugar moiety to acceptors which modify their the protein This PSPG box consists of 44 amino acids and is properties such as bioactivity, stability, solubility, sub cellular believed to be involved in binding of the activated sugar localization and binding properties [2]. Several regions of the primary sequence contribute to the formation of the substrate binding pocket including structurally conserved domains as well as loop regions differing both with respect to their amino acid sequence and sequence length

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