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. 2022 Sep 13;367:110179. doi: 10.1016/j.cbi.2022.110179

Table 1.

Residues used as binding site for molecular docking.

Protein Binding site residues
Envelope protein (CASTp predicted) Leu 34, Thr35, Leu 51, Val 52, Phe 56, Val 58, Leu 74, Val 75
Membrane protein (CASTp predicted) Leu 102, Arg 05, Thr106, Arg 107, Val 122, Pro 123, Leu 124, Leu 129, Leu 133, Ser 136, Ile 168, Val 170, Tyr178, Tyr179, Lys 180, Gly 182, Ala 183, Ser 184
Spike protein Receptor binding domain (amino acids- 437–503)
ACE2 Ser 19, Gln 24, Thr27, Phe 28, Asp 30, Lys 31, His 34, Glu 35, Glu 37, Asp 38, Tyr41, Leu 45, Leu 79, Met 82, Tyr83, Asn 330, Lys 353, Gly 354, Asp 355, Arg 357, Arg393