Year: 2022 | Month: September | 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

Deeksha Suresh Aditi Athreya Elisha Lobo Vivek Chandramohan Sunil Kumar C Sasmita Sabat
DOI:10.30954/0974-1712.03.2022.15

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.

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