Figure 6.

Proposed binding site of compound V. (A) Overview of ATR (PDB ID 2IDX) showing the location of the proposed binding site for compound V in one of the protein subunits (top score position from SwissDock with highest FullFitness) (26), the location of ATP, and the residues proposed to interact with cobalamin (yellow). (B) A detailed view of the proposed binding site of compound V (ball-and-stick). The residues Ala169 and Glu235 are shown with sticks and the potential hydrogen bonds to compound V with dotted lines. Phe170, which is implicated in cobalamin binding, is also shown.