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. 2022 Sep 3;11(17):2753. doi: 10.3390/cells11172753

Figure 4.

Figure 4

Modeling of Src kinase interaction with Na,K-ATPase. Interaction interface between human Na,K-ATPase and Src kinase studied by molecular modeling. (A) Contact frequency histogram of Na,K-ATPase residues according to 70 complexes of Na,K-ATPase:Src kinase obtained by targeted docking on servers PatchDock and Haddock. (B) Best rated docking complex after 100 ns of MD. (C) Interaction interface between Na,K-ATPase and Src kinase in the best rated docking complex after 100 ns of MD. Src kinase is colored cyan and Na,K-ATPase is colored gray. The interaction surface is shown with translucent pink. Na,K-ATPase residues 400–418 that interact with Src kinase are colored with magenta and red (residue 410–418 are the part of NaKtide peptide sequence). Residues 419–429 of NaKtide peptide sequence that do not participate in interaction with Src kinase are colored beige. Cysteines 454, 458 and 459 that are located inside the interaction are colored yellow. Tyrosine 416 which is located inside the interaction interface is shown.