Nucleotide-dependent structural dynamics and domain motion in Coxiella burnetii EngA GTPases: Insights from molecular dynamics simulation

Key Points

• Structural dynamics are influenced by nucleotide binding, shaping GTPase function.
• Molecular dynamics simulation reveals key conformational shifts during GTP hydrolysis.
• Analysis focused on the EngA GTPase in Coxiella burnetii, enhancing understanding of its activity.
• Insights suggest potential targets for therapeutic intervention in diseases caused by Coxiella burnetii.