The Interaction of Vinculin with Actin
Figure 7
Capping of the actin filament at S1 and S3.
(A) Vt (orange) with its exposed surface initially oriented towards both S1 and S3 is simulated interacting with the barbed-end of F-actin. After 15 ns of simulation a binding interface is formed between the exposed surface of Vt and the barbed-end (inset). D848 of Vt interacts with H173 of S3, while two interactions are formed between Vt and S1: K915 with E364, and E960 with Q360. (B) Vt (orange) is simulated with its occluded surface initially oriented towards both S1 and S3. After 15 ns of simulation the occluded surface of Vt forms a large interface at the barbed-end of Vt, interacting with both S1 and S3. Both insets together show the interactions at this large interface. Subunit n is shown in blue, and subunit n-2 is shown in red.