Extended Data Figure 4: Quantum mechanical computational models for 8-oxo-dGTP(anti) and dGTP(anti).
From: Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide
The models used for the quantum mechanical computational studies with the calcium ions, oxygen, phosphates, carbon, nitrogen, and protons shown in green, red, orange, grey, blue, and white, respectively. The key atoms and Asp 190, Asp 192, and Asp 256 mimics are indicated. a, The 8-oxo-dGTP(anti) with three calcium ions and eight water molecules. b, The 8-oxo-dGTP(anti) with two calcium ions and three water molecules. c, The dGTP(anti) with two calcium ions and three water molecules.
