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Figure 4
Omit maps of compounds (a) 4, (b) 5, (c) 6 and (d) BAD in the NAD+-binding donor site of TNKS2CAT. The adenosine and nicotinamide subsites are labelled ADE and NI, respectively. Hydrogen bonds up to 3.2 Å in length are shown as dashed lines. The mFo − DFc omit maps contoured at ±3σ are shown around the ligands in green (positive) and red (negative). Complete 2mFo − DFc and mFo − DFc maps of the ligand environments are shown in Supplementary Fig. S1. In (d), the two alternative conformations of the catalytic Glu1138 are shown with their mean occupancies in the two chains. |
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