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. 2021 Jan 27;74(6):381–396. doi: 10.1038/s41429-021-00408-3

Fig. 6.

Fig. 6

Snapshot from 20 ns molecular dynamic simulation of spectinomycin analogs. The binding mode of a spectinomycin, b 5, and c 9 from 20 ns MD simulations. The protein is shown as a gray ribbon with nucleotides and waters interacting with the ligand are labeled. The hydrogen bonding interactions are depicted as dashed lines. d An overlay of spectinomycin (orange), 5 (cyan), and 9 (purple) from the 20 ns MD simulations