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Zhao Jingying predicted the receptor binding site of HCoV-HKU1 based on molecular docking technology.
Prediction of HCoV-HKU1 receptor binding site based
on molecular docking technology
Abstacts：In this paper, molecular docking was performed by Autodock software, and receptor binding site of HCoV-HKU1 was found at a position B on the NTD of its S protein S1 subunit ( corresponding to amino acid residues 80-95, 25-32 ). And obtained the binding model of site B with 9-O-acetylated sialic. This article also discusses the ability of the CTD of the S1 subunit of the HCoV-HKU1 S protein to bind to 9-O-acetylated sialic. It is believed that the purified CTD does have the ability to bind to 9-O-acetylated sialic, but in the intact S protein, its CTD exposed part is not as good as NTD in binding to 9-O-acetylated sialic.
