Insilico structural modeling of normal and mutated subunits of ADP-glucose pyrophosphorylase from Triticum aestivum to study protein-protein interactions

Saroj Rani; Aanchal Gupta; Deepshikha  Kaushik; Sarvesh Rustagi; Sumira  Malik; Rajesh Yogi; Nitesh Singh

doi:10.14719/pst.2701

Authors

Saroj Rani Department of UIBT - Biotechnology, Chandigarh University, Mohali-140413,India https://orcid.org/0009-0005-7471-8319
Aanchal Gupta Department of UIBT-Biotechnology, Chandigarh University, Mohali- 140413,India https://orcid.org/0009-0000-8542-2330
Deepshikha Kaushik Centre for Bioinformatics, Maharshi Dayanand University, Rohtak -124001,India https://orcid.org/0000-0002-8111-4987
Sarvesh Rustagi School of Applied and Life Sciences, Uttaranchal University, Dehradun-248007,India https://orcid.org/0000-0002-1247-1040
Sumira Malik Amity Institute of Biotechnology, Amity University Jharkhand, Ranchi,-(834002), India https://orcid.org/0000-0001-5077-1493
Rajesh Yogi Department of UIBT-Biotechnology, Chandigarh University, Mohali- 140413,India https://orcid.org/0000-0002-1999-1647
Nitesh Singh Faculty of Agricultural Sciences, Shree Guru Singh Tricentenary University, Gurugram-122505, India https://orcid.org/0000-0002-7779-174X

DOI:

https://doi.org/10.14719/pst.2701

Keywords:

AGPase, homology modeling, Secondary Structure, small and large subunits, docking, T.aestivum

Abstract

ADP-glucose pyrophosphorylase is a heterotetrameric enzyme with pairs of large subunits (LS) and small subunits (SS) involved in starch biosynthesis. The increase in grain yield and plant biomass is brought about by the deregulation of endosperm. Thus, AGPase has attracted widespread interest in improving starch content in crop improvement. The data herein conclusively shows that mutation insertion involved in conformational changes is responsible for the decrease in a pocket in the mutated subunit. This type of conformational change might be beneficial for better protein-protein interaction. The present study is aimed to model and compare the structure of normal and mutatedlarge subunits of wheat AGPase to studytheir structural differences. Mutations by insertion are involved in conformational changes that are responsible for the decrease in the pocket in the mutated subunit. Such conformational changes are often beneficial to study PPI (protein-protein interactions). Further investigations were carried out using docking studies to gain insight into interaction. Based on these studies, it may be suggested that such type of mutationsare usually beneficial for starch production in wheat which is considered one of the significant Indian food crops.

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