Fig. 4
From: Unravelling the dynamics of the maturation protein in MS2 bacteriophage via molecular simulations

Conformational states of the MP highlighting key loop movements and H357 interactions. (a) The inset in the top left corner shows the cryo-EM structure of the MP (PDB ID: 6NM5, shown in purple) interacting with the F-pilus. The rest of panel (a) illustrates the cryo-EM experimental structure of the MP (purple cartoon) superimposed onto the “open” loop conformational state (orange cartoon), where the loop (residues L40–P50) enables H357 (shown in sticks) to interact with the F-pilus. (b) The cryo-EM experimental structure (purple cartoon) is superimposed onto the “semi-closed” loop conformational state (cyan cartoon), where the loop is in close proximity to H357, restricting its accessibility and preventing direct interaction with the F-pilus. These conformational states demonstrate the importance of “side loop” dynamics in facilitating or restricting critical interactions necessary for viral infectivity