Fig. 7.

R5.40³¹⁰ forms transient interactions with His⁷ of GLP-1. Molecular dynamics simulation was performed for a total of 500 ns commencing with the final model of the GLP-1 bound GLP-1R. (A) Interactions are identified between R5.40³¹⁰ and both N300 and His⁷ throughout the first half of the simulation. However towards the end of the simulation the interactions with both N300 and His⁷ are lost and R5.40³¹⁰ forms a stable interaction with E6.53³⁶⁴. (B) Hydrogen bonds formed between R5.40³¹⁰-His⁷ during the 500 ns simulation. Hydrogen bonds were defined with the donor–acceptor distance < 3.0 Å and an angle cutoff of 20°.