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. 2016 Jun 27;113(28):7792–7797. doi: 10.1073/pnas.1604591113

Fig. 1.

Fig. 1.

Crystal structures of NEIL1 bound to dsDNA containing THF and Tg, respectively. (A) Overall view of NEIL1 bound to a THF-containing duplex, with the flipped THF shown in purple. (B) Accommodation of THF in the active site of NEIL1. Density map (2Fobs − Fcal) of THF is shown. Hydrogen bonds are shown in green dashed lines. The red dashed line shows the distance between the α-amino group of Pro2 and C1 atom of THF. (C) Overall view of NEIL1 bound to a Tg-containing duplex, with the flipped Tg shown in purple. (D) Overlay of the apo and THF-bound NEIL1 structures, highlighting the conformational change of Arg242. In the Tg-bound structure, Arg242 in the flexible lesion recognition loop flips over, and the polar side chain of Arg242 points to the Tg base. Tyr244 resides approximately in the same location in both apo (gray) and Tg-bound (green) structures. (E) Overlay of the lesion recognition in the apo (gray), Tg (green)-, and THF (cyan)-bound structures. The same angle as in D is shown here for comparison.