Table 3. SSA-Galβ1,3GalNAc interactions a.
| Ligand atom b | Direct contact (Å) | Interaction partner |
|---|---|---|
| Gal O4 | 2.8 | Asn22 OD1 |
| 2.8 | Glu25 N | |
| Gal O3 | 2.9 | Asn22 ND2 |
| 3.0 | Asn46 ND2 | |
| 2.7 | Wat25 | |
| Gal 02 | 2.8 | Wat45 |
| Gal C6-O6 | 3.3-3.5 | Trp24 indole ring |
| Gal C3-C4 | 3.6-3.8 | Tyr37 phenol ring |
| GalNAC O4 | 2.7 | Glu25 O |
| 2.8 | Wat98 | |
| GalNAc O7 | 3.0 | Wat46 |
| GalNAc O1 | 2.7 | Wat130 |
| 2.7 | Wat118 |
a
Contact observed in a single subunit within a 3.2 Å and 4.0 Å distance for hydrogen bonds and hydrophobic carbon-carbon interactions, respectively
b
Hydrophobic interactions are indicated in bold.