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. 2011 Jun;85(11):5436–5445. doi: 10.1128/JVI.00859-10

Fig. 8.

Fig. 8.

Docking of TSC in the BVDV RdRp crystal structure. (A) PDB image of BVDV RdRp (PDB entry 1S48) showing Ala392 and Asn264. (B) Stereo picture of the docking of TSC near Asn264. All surrounding amino acids having closed contact with the inhibitor are shown, as are the H bonds between the H atoms of N-4 atom of the thiosemicarbazone group and carbonyl group of Glu265 and Lys266, between the N-1 atoms of the thiosemicarbazone group and α-NH group of Lys266, and between the H atoms on the N-2 atom of the thiosemicarbazone group and carbonyl group of Lys266. (C) Stereo picture of the docking of TSC near Ala392. All surrounding amino acids having a hydrophobic contact interaction with the inhibitor are shown, as are the H bonds between the H atoms of the N-4 atom of the thiosemicarbazone group and the OH group of Thr152 and Thr160. (D) In red is shown mutated Ala392 by a Glu residue, illustrating the low possibility of TSC accessing the studied site.