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. 2013 Aug 6;105(3):679–690. doi: 10.1016/j.bpj.2013.06.018

Figure 1.

Figure 1

The Cpx AH comes into close contact with the SNARE bundle, and this conformation is stabilized by salt bridges between Cpx and Syb, and between Cpx and SN2. (A) Conformations of the SNARE complex with Cpx obtained by x-ray (1KIL), after MCM optimization, and at the end of the 250 ns MD trajectory. The AH makes close contact with the SNARE bundle (Syb, red; Syx, blue; SN1, green; SN2, cyan; Cpx, magenta). (B) Stabilizing interactions of Cpx with SN2 and Cpx. Boxes indicate stable salt bridges. (C) MD trajectory of the Cpx/SNARE complex, showing a formation of stable salt bridges between Cpx and Syb (black) and Cpx and SN2 (red). (D) Fluctuations of the C-terminal residues of the SNARE complex do not depend on the presence of Cpx. The final 80 ns of the SNARE/Cpx trajectory (black) are compared with 80 ns simulation of the SNARE complex alone (red). The distance between the Cα atoms of W89 of Syb and K256 of Syx is plotted.