Figure 2.
Binding of LA to SARS-CoV-2 RdRp. (A) Evaluation of the binding affinity and affinity parameters of LA to RdRp by SPR. The equilibrium dissociation constant (KD Value) with ka and kd were calculated. (B) Binding modes distribution of LA. The protein and RNA are represented by the green and orange cartoon models, respectively, and the 9 binding modes were represented by the pink stick model. (C) Best binding mode of LA. Protein and RNA are shown in green and orange ribbon models, and small molecules were shown in purple stick models (C in purple and O in red). The residues within 4 Å nearby LA are depicted in green stick models (C in green and O in red), and hydrogen bonds were shown by yellow dashed lines, LA- linoleic acid.