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 |