Figure 5.
Structural model of PmrAC–box1 DNA complex. (A) The best complex model from HADDOCK docking with yellow surface display of DNA and ribbon presentation of PmrAC, showing that the α3 helix and the C-terminal β-hairpin fit into the major and minor groove of the DNA, respectively. The residues showing H-bond and non-bonded interactions with DNA are in blue and red, respectively. The inter-molecular salt bridge identified between the two PmrAC molecules is shown. (B) Schematic presentation of the detailed interactions between the two PmrAC molecules and box1 DNA identified in more than five of the best 10 models. The H-bonds and non-bonded contacts are indicated by blue and red dotted lines, respectively.