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. 2014 Apr 10;1:8. doi: 10.3389/fmed.2014.00008

Figure 4.

Figure 4

Predictive bioinformatic analyses shows potential interaction between shank3 and LC8. Rat proteins (PDB: 3QJN, shank3; 1F96, nNOS-bound LC8) were queried for interaction using Patchdock. Refinement of solutions was performed using Firedock. Protein interaction predictions were performed based on van der Waals and electrostatic interactions between the 3D structures. Prediction of structural alignment based on lowest energy levels was visualized for ribbon and ball and stick structures using RASMOL (78) and shown in upper panels. In the lower panels, note the groove in the shank in which the LC8 (blue) fits. Such conformation may offer dynamic stability to shank–LC8–nNOS complex during transport at the periphery of nerve terminals.