PREDICTION OF 3D STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE KINASE 2 USING ALPHAFOLD 2 AND SIMULATION OF ITS INTERACTION WITH MITOGEN-ACTIVATED PROTEIN KINASE 6 IN ARABIDOPSIS THALIANA

Sameer KHAN
Department of Biology and Institute of Biochemistry, Carleton University, Ottawa ON – Canada

Tim XING
Department of Biology and Institute of Biochemistry, Carleton University, Ottawa ON – Canada

https://doi.org/10.47743/jpd.2025.32.1.976

Keywords: HADDOCK, interface visualization, kinase cascade, protein docking, stress.

Abstract: Arabidopsis thaliana mitogen-activated protein kinase (MPK or MAPK) signaling network plays significant roles in various cellular processes. The three-dimensional structure of mitogen-activated protein kinase kinase 2 (MKK2), an upstream kinase in the MAP kinase cascade, was predicted using AlphaFold 2, and protein-protein docking simulations were performed between MPK6 and MKK2. The docking analysis identified important residues mediating their interaction. This structural prediction and protein docking analysis provide a further understanding at protein structure level.

How to cite this article:
KHAN S. & XING T. 2025. Prediction of 3D structure of mitogen-activated protein kinase kinase 2 using AlphaFold 2 and simulation of its interaction with mitogen-activated protein kinase 6 in Arabidopsis thaliana. J. Plant Develop. 32: 157-162.
https://doi.org/10.47743/jpd.2025.32.1.976

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