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Binding mode of S-EMCA (4) to TGR5. Key residues involved in hydrogen-bonding interactions are color-coded in blue (Ty89, Asn93, and Ser270); residues lining the hydrophobic pocket are color-coded in yellow (Phe96, Cys236, and Trp237); residues defining the accessory pocket are color-coded in pink (Ala17, Leu20, and Asn76); the residue accounting for the potential hydrogen-bonding interaction site is color-coded in magenta (Val88).
