TABLE 2.
Summary of all interactions between all chains of BoGT6a E192Q in monoclinic crystal form with ligands
Atom labels for the ligands are chosen according to Ligplot diagrams (as shown in Fig. 7). All interactions were analyzed using the PISA program (33).
| Residue | Protein atom | Ligand atom |
||
|---|---|---|---|---|
| UD2 | UDP | GalNAc | ||
| Thr10 | [OG1] | [N3] [O2] | [N3] [O2] [O4] | X |
| [N] | [O2] | [O2] | X | |
| [O] | [N3] | [N3] | X | |
| Gln192 | [N] | [O4′] | X | X |
| [NE2] | [O4′] [O5′] [O6′] | X | [C1′] [O6′] [O5′] [O3′] [O4′] [O1′] | |
| [OE1] | X | X | [O6′] | |
| Arg73 | [NH2] | [O3′] | X | [O4′] |
| Gly157 | [N] | [O3′] | X | X |
| Lys231 | [NZ] | [O3A] [O1A] [O1B] | [O1A] [O2B] [O1B] [O2A] [O1′] | X |
| Tyr13 | [OH] | [O1A] [O2A] | [O1A] [O2A] [O1B] [O2B] [O1′] [O3A] | X |
| Ala96 | [N] | [O3B] | [O3B] [O2′] | X |
| Asn95 | [ND2] | [O1A] [O3B][O5B] | [O3B] [O2B] | X |
| [OD1] | [N2′] | X | X | |
| Arg243 | [NH2] | [O3A][O2A] [O2B] [O1A] | [O2A] (structure C) | X |
| Asn69 | [ND2] | [O4] | [O4] | X |
| [OD1] | X | [N3] | X | |
| Trp189 | [O] | [O6′] | X | X |
| His239 | [NE2] | X | [O2B] | X |
| Trp66 | [NE1] | [O2A] | [O2B] | X |
| Thr70 | [OG1] | X | [O1′] | X |
| His190 | [N] | X | X | [O6′] |
| Asp191 | [N] | X | X | [O6′] |
| Thr134 | [OG1] | X | X | [O6′] |
| His122 | [NE2] | X | X | [O4′] [O1′] |