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. Author manuscript; available in PMC: 2024 Feb 28.
Published in final edited form as: Biochemistry. 2022 Aug 31;61(18):1966–1973. doi: 10.1021/acs.biochem.2c00341

Figure 5.

Figure 5.

The ATP-binding pocket and the pre-existing binding pocket for the cyano group of RTP and hypothetical models for new drug design. (A, B) Two views of the ATP-bound complex show the pre-existing pocket underneath the C1’ atom where the cyano group is substituted in the RTP complex. (B) In stereodiagram. Arrows indicate a pre-existing pocket in the pol. (C, D) The same two views of the RTP-bound complex. (D) In stereodiagram. (E-H) With hypothetical formal, carboxyl, methylhydroxyl, or azidoyl substitution at C1’. Solvent-accessible surface is colored by negative charge (red), positive charge (blue), uncharged (cyan) atoms, and sulfur atom (gold).