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. 2023 Dec 12;15(24):14764–14790. doi: 10.18632/aging.205289

Table 5. Hydrogen bond interaction parameters for potential compounds with JAK3 residues.

Receptor ZINC ID Donor atom Receptor atom Distances (Å)
JAK3 ZINC000003938642 LYS855:NZ ZINC000003938642:O35 3.22
ARG953:NH2 ZINC000003938642:O15 2.94
ASP967:OD2 ZINC000003938642:H57 3.05
LEU828:O ZINC000003938642:H74 2.60
LYS830:O ZINC000003938642:H76 2.09
GLN864:O ZINC000003938642:H98 2.36
ASN954:CA ZINC000003938642:O11 3.19
GLY969:CA ZINC000003938642:O35 3.60
ASP967:OD2 ZINC000003938642:H58 2.81
ASN954:OD1 ZINC000003938642:H61 2.70
ARG953:O ZINC000003938642:H73 2.72
LYS830:O ZINC000003938642:H77 2.20
LYS830:O ZINC000003938642:H84 2.27
ZINC000014952116 A:PHE868:N ZINC000014952116:O35 3.30
A:ARG953:NH2 ZINC000014952116:O23 3.00
A:ASP967:OD1 ZINC000014952116:H69 1.97
A:GLN864:O ZINC000014952116:H74 2.06
A:LEU828:O ZINC000014952116:H78 1.86
A:LYS855:NZ ZINC000014952116 3.89
ZINC000072131515 A:PHE833:HN ZINC000072131515:O35 3.08
A:GLY834:HA2 ZINC000072131515:O35 2.96
A:LYS855:NZ ZINC000072131515 4.19
A:GLY829:C,O;LYS830:N ZINC000072131515 4.65
A:ALA966 ZINC000072131515:C8 3.34
A:MET902 ZINC000072131515:C3 5.28
A:LEU956 ZINC000072131515:C13 5.35
A:ARG953 ZINC000072131515:C18 4.32
A:PHE833 ZINC000072131515:C33 4.30