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. 2022 Jun 10;12(6):815. doi: 10.3390/biom12060815

Figure 3.

Figure 3

Crystal structure of ScRR1 in complex with gemcitabine. (a) Stereo view of CDP (orange). Interacting atoms: oxygen, red; nitrogen, blue; phosphate, magenta; sulfur, green; substrate carbons, cyan; protein non-Cα carbons, yellow; Cα carbons, as secondary structure, orange. (b) Stereo view of gemcitabine diphosphate. Interacting atoms are colored as in (a), except that sulfur is orange; Cα carbons, as secondary structure, are yellow; and fluorines are gray. (c) Ligand plot of CDP ribose interactions. Colors are as in (a), except that carbons are yellow. (d) Ligand plot of gemcitabine diphosphate interactions. The van der Waals contact with L427 is omitted for clarity. (e) Stereo view of the loop 2 superposition of AMPPNP–CDP (orange) and AMPPNP–gemcitabine diphosphate (yellow). Substrate/inhibitor is seen on the left, and the effector is on the right. The color scheme is the same as in (c), but fluorine is black. Figure reprinted with permission from Xu et al. [118].