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. 2024 Jul-Aug;14(4):505–519. doi: 10.22038/AJP.2024.23871

Table 4.

Key amino acid residues between Tiliroside and the active sites of targets

Bonding type / Targets 6F9U 6F9V 1DIC 2WWP 2XYF 3FMZ 1BIK 3QKG
Hydrophilic Tyr523, Phe391, Val518, Tyr360, Trp357, Ala356, Phe512, Val351, Ala63, and Tyr62 Tyr501, tyr369, Val36, Tyr338, Trp335, Ala334, Ala332, Val329, Phe490 Val213, Ile227, Cys191, Leu41, Cys42, Cys58, Pro96, and Ile99 Tyr105, Phe34, Leu102, Ala99, Pro98, Pro71, and Ala72 Trp95, Val93, Ile92, Pro90, Leu40, Tyr78, Ala79 Met73, Phe135, Tyr133, Leu37, Tyr90, Met88, Phe96, Val61, and Leu63 Pro90, Val87, Tyr112, Cys115, Cys51, Ala50, and Trr42 Tyr79, Ala78, Tyr90, Met99, Met62, Met44, Leu37, and Ile30
Polar Arg522, Glu411, His378, Asp358, Glu384, Lys368, Ser355, His353, Asn70, Asn66, and Glu143 Arg500, Arg381, Thr496, Glu389, His388, Asn494, Ser39, His365, Asp336, Glu362, His361, Ser333, His331, Lys346, and Asp43 Ser195, Ser190, Thr214, Ser215, Ser217, Arg218, Asp194, Glu60, Asp97, Hid57, Thr98, and Lys192 Gln36, Ser104, Ser101, Thr73, and Asp74 Lys94, Kys91, Gln89, Asn42, Lys41, and Glu44 Gln98, Lys99, Arg121, Asn101, and Asp102 Asn118, Gln116, Thr53, Ser48, Asn45, Glu52, and Glu69 Thr63, Ser64, Arg66, Thr75, Ser76, Lys118, Thr116, Thr128, and Lys130
Hydrogenous Arg522, Glu411, Glu143, Asn70, Ala356, and Asn66 Asn494, Glu362, Asp336, Tyr338, Arg381, and Glu389 Ile227, Thr214, Gly216, Leu41, Cys42, Arg218, and Lys192 Ala72, Asp74, Tyr105, Gln36, Gly100, Gly103, Ser10, Gly100, and Ala99 Pro90, Lys91, Lys94, Glu77 Arg121, Glu33, Tyr133,Asp102, Gln98, and Asn101 Gly117, Thr53, and Thr42 Ala78, Tyr79, Thr128, Lys130, Arg66, Ser64, and Thr75