Computational Study of Correlated Domain Motions in the AcrB Efflux Transporter

Figure 2

(a) The subdomains of the entire porter domain colored and labelled individually. The monomers are separated by shaded surfaces. (b) Expected movements of the subdomains belonging to monomer T. The arrows of the so-called porcupine plot [24] indicate the linear deviations between the initial and final states of the transition. The longer rod-like arrows describe the movement of the principal axes of each subdomain in the direction of the transition depicted by the porcupine representation. The initial (yellow) and final (pink) positions of the drug molecule are taken from a fullTMD simulation.

(a)

(b)