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The axon initial segment (AIS) region is crucial for action potential initiation due to the presence of high-density AIS protein voltage-gated sodium channels (Na v ). Na v channels comprise several serine residues responsible for the recruitment of Na v channels into the structure of AIS through interactions with ankyrin-G (AnkG). In this study, a series of computational experiments are performed to understand the role of AIS proteins casein kinase 2 and AnkG on Na v channel recruitment into the AIS. The computational simulation results using Virtual cell software indicate that Na v channels with all serine sites available for phosphorylation bind to AnkG with strong affinity. At the low initial concentration of AnkG and casein kinase 2, the concentration of Na v channels reduces significantly, suggesting the importance of casein kinase 2 and AnkG in the recruitment of Na v channels.

Modeling protein-protein interactions in axon initial segment to understand their potential impact on action potential initiation