Figure 4. Structural Models of DNA Repair and Replication Proteins Interacting with H-DNA.
(A–C) Modeled structures of an (A) hERCC1-XPF-H-DNA complex, (B) an hXPG-H-DNA complex, and (C) an hFEN1-H-DNA complex were generated by HADDOCK. Left: electrostatic surface presentation of the protein-H-DNA complex is shown. The positive and negative charged surfaces are colored in blue and red, respectively. Exposed hydrophobic residues are in white. Middle: cartoon presentation of the protein-H-DNA complex is shown. The protein is colored in green (ERCC1 in the hERCC1-XPF complex is in blue). The cleavage sites are colored in magenta. Right: detail of residues involved in cleavage sites of H-DNA is shown. The oxygen of the involved phosphodiester in H-DNA is depicted as a magenta sphere. The magnesium ion is colored in yellow. The active residues of proteins are shown as blue and green sticks. The distances between the cleavage sites and active sites are measured and shown as dotted yellow lines.