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. 2021 Aug 23;26:100714. doi: 10.1016/j.imu.2021.100714

Table 7.

Interactions between HCQ-bound ACE2 and Spike proteins: (a) hydrogen bonds, (b) salt bridges.

ACE2-HCQ DISTANCE (Ao) SPIKE
Asn 322 [ND2] 2.76 Ser 477 [OG]
Gln 325 [N] 3.16 Ala 475 [O]
Lys 353 [NZ] 2.91 Tyr 453 [OH]
Asp 30 [OD1] 2.76 Gln 498 [NE2]
Asp 30 [OD2] 2.62 Tyr 499 [OH]
Glu 35 [OE2] 2.88 Gly 502 [N]
Glu 35 [OE2] 2.91 Asn 501 [ND2]
Asp 38 [OD1] 2.69 Arg 403 [NH1]
Asp 38 [OD2] 2.71 Arg 403 [NH2]
Lys 353 [O] 2.9 Tyr 453 [NZ]
His 34 [NE2]
2.88
Tyr 505 [O]
ACE2-HCQ
DISTANCE (Ao)
SPIKE
Asp 38 [OD1] 3.55 Arg 403 [NH2]
Asp 38 [OD1] 2.69 Arg 403 [NH1]
Asp 38 [OD2] 2.71 Arg 403 [NH2]
Asp 38 [OD2] 3.45 Arg 403 [NH1]