International Journal of Agriculture, Environment and Biotechnology
  • Year: 2022
  • Volume: 15
  • Issue: 3

Structure analysis and molecular simulation study of ACC deaminase mutants from Pseudomonas sp., an endophyte in reducing abiotic stress in plants

  • Author:
  • Deeksha Suresh1, Aditi Athreya1, Elisha Lobo1, Vivek Chandramohan2, C Sunil Kumar1, Sasmita Sabat1,*
  • Total Page Count: 8
  • Published Online: Jul 27, 2023
  • Page Number: 773 to 780

1Department of Biotechnology, PES University, 100 Feet Ring Road, Banashanakari, Bangalore, Karnataka, India

2Department of Biotechnology, Siddhaganga Institute of Technology, Tumukuru, Karnataka, India

*Corresponding author: sasmita.tripathy277@gmail.com (ORCID ID: 0000-0003-4125-371X)

Online Published on 27 July, 2023.

Abstract

Cellular stressors are abiotic or biotic conditions, such as drought, salinity, acidity, and infections, that induce plant damage or disease, as well as an increase in ROS and ethylene production. Endophytes are microorganisms that reside within plants and share an endosymbiotic relationship with their host to protect the plant from cellular stress. The bacterial endophytes under stress conditions produce ACC deaminase from the acdS gene to break down ACC, an ethylene precursor, which, in high concentrations, hinder and retard the plant’s growth. ACC deaminase from Pseudomonas sp. (PDB ID: 1TYZ) was used for the mutation study to determine the possible effect of single amino acid substitutions using the Predict SNP tool. The mutant E295G (glutamic acid convert to glycine at position 295) was considered, and a simulation for 100ns was run on the E295G mutated ACCD docked with ACC (Compound CID: 535) using GROMACS 2019 version. The average values of the molecular simulation analysis were: MM-PSBA = -8.9047 kcal/mol, RMSD = 0.2093058013 nm, RMSF = 0.1089223565 nm, SASA = 149.3414 nm2, RG = 1.961965 nm. This work indicates that enhancing the activity of the ACC deaminase enzyme from the bacterial endophytes would aid in mitigating stress in the plants.

• Endophytic bacteria involvement in the management of abiotic/biotic cellular stress.

• Increasing enzymatic activity of ACC deaminase through point mutations.

• Managing cellular stress in plants through increased ACCD activity.

Keywords

ACC deaminase, Bacterial endophytes, Abiotic stress, Ethylene, Pseudomonas sp., Molecular simulation