. 2020 Aug 6;6(8):e04640. doi: 10.1016/j.heliyon.2020.e04640

Table 13.

Residues-ligand interactions for ACPS and the different COVID-19 constructions.

Virus	Residues	Atoms	Distance (Å)	Category	Type
6LU7	A:GLY:143	O16	2.66	H-bond	Conventional H-bond
	A:SER:144	O18	3.00
	A:CYS:145	O18	2.59
	A:CYS:145	O15	3.13
	A:HIS:164	H13	2.39
	A:CYS:145	H27	2.94
	A:MET:165	2-amino-5-chloropyridinium ring	5.91	Other	pi-sulfur
	A:HIS:41	2-amino-5-chloropyridinium ring	3.92	Hydrophobic	pi-pi stacked
	A:HIS:41	Cl1	5.06		Alkyl
	A:MET:49	Cl1	3.91		pi-alkyl
	A:MET:49	2-amino-5-chloropyridinium ring	4.88		pi-alkyl
6M03	A:THR:25	H13	2.22	H-bond	Conventional H-bond
	A:THR:25	H27	2.73
	A:THR:24	H27	2.84
	A:LYS:61	Cl1	2.62		Carbon H-bond
	A:VAL:42	H11	1.49		Carbon H-bond
	A:THR:24	2-amino-5-chloropyridinium ring	3.93		pi-donor H-bond
	A:CYS:22	2-amino-5-chloropyridinium ring	5.11	Other	pi-sulfur
	A:ILE:43	Cl1	4.77	Hydrophobic	Alkyl
	A:LYS:61	Cl1	4.46	Hydrophobic	Alkyl
6W63	A:PHE:66	H13	2.23	H-bond	Conventional H-bond
	A:ASN:63	H27	2.39		Conventional H-bond
	A:HIS:64	O15	2.55		Carbon H-bond
	A:HIS:64	O18	2.92		Carbon H-bond
	A:LEU:67	2-amino-5-chloropyridinium ring	2.75	Hydrophobic	pi-sigma
7BTF	A:SER:592	O17	3.11	H-bond	Conventional H-bond
	A:ASN:600	O16	2.86	H-bond	Conventional H-bond
	A:MET:601	Cl1	5.27	Hydrophobic	Alkyl
	A:MET:601	2-amino-5-chloropyridinium ring	4.26		pi-alkyl
	A:ARG:583		4.15
	A:VAL:588		5.24