Exploring Strong Interactions in Proteins with Quantum Chemistry and Examples of Their Applications in Drug Design
Fig 3
The cation-π interaction structures between three cations (Arg+, Lys+, and His+) and four aromatic amino acids (Phe, Tyr, Trp, and His).
A) The cation-π interaction structure of Lys+–Phe. B) The cation-π interaction structure of Arg+–Phe. C) The cation-π interaction structure of His+–Phe. D) The cation-π interaction structure of Lys+–Tyr. E) The cation-π interaction structure of Arg+–Tyr. F) The cation-π interaction structure of His+–Tyr. G) The cation-π interaction structure of Lys+–Trp. H) The cation-π interaction structure of Arg+–Trp. I) The cation-π interaction structure of His+–Trp. J) The cation-π interaction structure of Lys+–His. K) The cation-π interaction structure of Arg+–His. L) The cation-π interaction structure of His+–His. The energies of aa cation-π interactions are in the range -50 to -85 kJ/mol.