Fig. 4. Binding mode of battacin analogues to an E. coli inner membrane. Snapshots showing the penetration of the lipid tails into a model E. coli inner membrane for one of the three replicate simulations of each of (a) 9, (b) 2, (c) 13c, and (d) 13f. The membrane lipids are coloured according to atom type (carbon: cyan; oxygen: red; nitrogen: blue; hydrogen: white) and the residues of battacin are coloured as in Fig. 3. Where there is a lipid tail present, it penetrates deeper into the membrane than the remainder of the battacin residues, which co-locate with the head groups of the membrane lipids.
