Assembly of the Transmembrane Domain of E. coli PhoQ Histidine Kinase: Implications for Signal Transduction from Molecular Simulations
Figure 2
(A) Models of individual TM1 and TM2 helices equilibrated in an all-atom membrane bilayer. Gly32 and Pro208 produce a kink in TM1 and TM2, respectively. (B) Stable TM dimers as obtained from MD in a united-atom membrane bilayer. (C) Tetrameric TM model structure produced using TM dimers, MD simulations and cross-linking spatial restraints. From left to right, the model is presented embedded in the membrane from the periplasmic top view, and with a focus on the H-bond network formed by residues Tyr32 and Asn202, which contributes to stabilize the bundle.