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. 2014 Feb 13;8(2):e2689. doi: 10.1371/journal.pntd.0002689

Figure 3. Molecular docking results in the productive pocket of TcSIR2rp1.

Figure 3

(A) Superimposition of A5dPR crystal (yellow-capped sticks) and best-ranked docking poses in hSIRT2 (green-capped sticks, cyan ribbons) and TcSIR2rp1 (white-capped sticks, dark pink ribbons). (B) NAD+ best-ranked docking pose in the TcSIR2rp1 productive form (purple-capped sticks, dark pink ribbons). (C) Nicotinamide best-ranked docking pose in the TcSIR2rp1 productive form (purple -capped sticks, dark pink ribbons). (D) AGK2 best-ranked docking pose in the TcSIR2rp1 productive form (purple-capped sticks, dark pink ribbons).