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. 2022 Sep 8;20:4984–5000. doi: 10.1016/j.csbj.2022.08.045

Table 3.

Hydrogen bonds between residue 325 and trimannose of WT SP-D•Trimannose, Asp325Ala SP-D•Trimannose, Arg343Val SP-D•Trimannose, and DM SP-D•Trimannose observed in the medial trimannose binding pose.

System Acceptor Donor Occupancy Distance (Å) Angle (degrees)
WT SP-D●Trimannose Asp325@OD1 Man1@O3 0.27 2.66 163.69
Asp325@OD1 Man1@O4 0.25 2.74 160.41
Asp325@OD2 Man1@O3 0.28 2.66 163.72
Asp325@OD2 Man1@O4 0.24 2.74 160.30
Total 1.04
Asp325Ala SP-D●Trimannose No Hydrogen bonds
Arg343Val SP-D●Trimannose Asp325@OD1 Man1@O3 0.46 2.66 163.55
Asp325@OD1 Man1@O4 0.31 2.75 159.84
Asp325@OD2 Man1@O3 0.36 2.66 163.54
Asp325@OD2 Man1@O4 0.39 2.74 160.16
Total 1.51
DM SP-D●Trimannose No Hydrogen bonds