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Fig. 8 | BMC Structural Biology

Fig. 8

From: Molecular dynamics simulation of the opposite-base preference and interactions in the active site of formamidopyrimidine-DNA glycosylase

Fig. 8

a, surface representation of the PRO-GLH-C model (8 ns) showing parts of the molecule where C/A-specific hydrogen bonds are found. Residues forming C-specific bonds only are colored red, those forming exclusively A-specific bonds are blue, and the residues forming alternative bonds in C and A models are green. b, the same model as in a rotated 180° around the vertical axis. c, interaction difference map showing pairs of hydrogen bond-forming amino acids specific (>3σ difference in bond occurrence calculated over all pairs of models) for C models (red) or A models (green). Residues 1–271, protein; 272–285, damaged DNA strand; 286–299, complementary DNA strand; 300, Zn2+; 301–307, structural water molecules. The yellow line marks the position of oxoG0, the magenta line, the position of C(0)/A(0)

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