|
|
|
Figure 4
Binding modes of KIT library fragments binding to Nsp1NTD. Nsp1NTD is shown as a grey cartoon, residues that interact with fragments and make up the binding pocket in Nsp1NTD are shown as sticks, fragments are shown in green, hydrogen bonds are shown as dashed black lines and water molecules are shown as red spheres. 2D representations of fragments are shown in insets. The name of the respective fragments is shown in the bottom right corner. (a) Apo structure of Nsp1NTD showing waters in the binding pocket. (b)–(l) Binding mode of fragments X10590, X11415, X13162, X13458, X15604, X2317, X4071, X4161, X5449, X6553 and X7214, respectively. (m)–(p) Anomalous difference electron-density map (yellow mesh) for fragments X10590, X13162, X13458 and X6553, respectively. The map has been contoured at 7σ for X10590 and at 4σ for the other fragments. |
Open
access
access
journal menu![[Figure 4]](chr5008fig4.jpg)



