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. 2017 May 9;112(9):1885–1893. doi: 10.1016/j.bpj.2017.03.039

Figure 3.

Figure 3

Characterization of the MAPK1-open vinculin complex. (A) Shown here is the interaction energy between MAPK1 and individual vinculin domains. D1-MAPK1, D2-MAPK1, and PRL-MAPK1 energy plots overlap with the Vt-MAPK1 energy plot at 0 kcal/mol, and thus are not visible on the plot. MAPK1 interaction is exclusively restricted to D3 and D4 of vinculin. (B) Shown here is the interaction energy between MAPK1 and open vinculin, separated into electrostatic, VDW, and total (electrostatic + VDW) energies. For clarity purposes, error bars are only shown for the “Total” energy plot. MAPK1 interacts with vinculin largely through electrostatic contacts. (C) Shown here are the molecular details of the MAPK1-vinculin complex. Interacting residues are labeled and shown in licorice representation. The MAPK1 N-lobe (red) and C-lobe (yellow), as well as the D1 (violet), D2 (lime), D3 (blue), D4 (orange), PRL (gray), and Vt (cyan) domains of vinculin are separately colored. To see this figure in color, go online.