Molecular recognition of avirulence protein (avrxa5) by eukaryotic transcription factor xa5 of rice (Oryza sativa L.): Insights from molecular dynamics simulations

For the first time we report a novel mechanism that governs the recognition of avirulence protein avrxa5 from pathogen Xoo by eukaryotic transcription factor xa5 of rice. The C-terminal end of xa5 is deeply buried inside the cavity of helical region of C-terminal end of avrxa5 and reinforced by H-bonds and electrostatic interactions contributing towards the molecular recognition process. Further binding free energy analysis showed polar solvation energy contributed more than three fold of the non-polar solvation terms towards molecular recognition.