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. 2022 Nov 7;27(21):7640. doi: 10.3390/molecules27217640

Figure 4.

Figure 4

The two highest populated binding modes of FTC-2 within the CTD-NTD interprotomer pocket of HIV-1 CA. (A) The binding mode when the carbonyl group of 2-pyridone faced the inside of the binding pocket. (B) The binding mode when the carbonyl group of 2-pyridone faced the outside of the binding pocket. The two HIV-1 CA protomers are highlighted in cyan and pink. Cation-π interactions are shown in green dotted lines and hydrogen bonds in yellow dotted lines.