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

Fig. 7.

Fig. 7

Modeled binding modes of spectinamide analogs from 20 ns molecular dynamic simulation in AMBER18. The binding mode of a 2, b 6, and c 10 from 20 ns MD simulations. The protein is rendered as a gray ribbon with nucleotides and waters interacting with the ligand shown as sticks. The dashed lines represent hydrogen bonding interactions. d An overlay of spectinomycin (yellow), 2 (purple), 6 (orange), and 10 (green) from the 20 ns MD simulations