Table 2.
Ligand | DH1 HA – 6’SLN | DH1D HA – 6’SLN | DH1E HA -6’SLN | DH1E HA-3’SLN | ||||
---|---|---|---|---|---|---|---|---|
Interaction pairs |
Distance (Å) |
Interaction pairs |
Distance (Å) |
Interaction pairs |
Distance (Å) |
Interaction pairs |
Distance (Å) |
|
Sia-1 | O1A······T136 OG1 | 2.58 | O1A······T136 OG1 | 2.63 | O1A······T136 OG1 | 2.68 | O1A······T136 OG1 | 2.75 |
O1A······Q22 6 NE2 | 3.00 | |||||||
O1B······A137 N | 2.66 | O1B······A13 7 N | 2.62 | O1B······A13 7 N | 2.82 | O1B······A13 7 N | 2.88 | |
O4······V135 O | 3.51 | O4······V135 O | 3.69 | O4······V135 O | 3.63 | O4······V135 O | 3.58 | |
N5······V135 O | 2.99 | N5······V135 O | 2.83 | N5······V135 O | 2.92 | N5······V135 O | 2.82 | |
O8······Y98 OH | 2.76 | O8······Y98 OH | 2.68 | O8······Y98 OH | 2.71 | O8······Y98 OH | 3.06 | |
O9······Y98 OH | 2.97 | O9······Y98 OH | 2.61 | O9······Y98 OH | 2.86 | O9······Y98 OH | 3.24 | |
O9······H183 NE2 | 3.14 | O9······H183 NE2 | 2.85 | O9······H183 NE2 | 3.05 | O9······H183 NE2 | 3.11 | |
O9······E190 OE1 | 2.48 | O9······E190 OE1 | 2.38 | |||||
O9······S228 OG | 3.11 | O9······S228 OG | 2.85 | O9······S228 OG | 3.12 | |||
Gal-2 | O3······K222 NZ | 3.00 | O3······K222 NZ | 2.79 | O3······K222 NZ | 3.16 | ||
O3······D225 OD2 | 2.81 | O3······D225 OD2 | 3.65 | |||||
O3······D225 O | 3.28 | O3······D225 O | 3.70 | O3······G225 O | 3.07 | |||
O4······D225 O | 2.56 | O4······D225 O | 2.75 | O4······G225 O | 3.34 | |||
GalNAc-3 | N2······D190 OD1 | 2.97 |
Hydrogen atoms were calculated by LigPlot+.