Table 7. Ligand–active site interactions in different NanE structures.
Interactions with the peptide bonds of the main chain are shown in bold.
| FnNanE (this study) | VcNanE (this study) | CpNanE (PDB entry 4utu) | SaNanE (PDB entry 1y0e) | SpNanE (PDB entry 1yxy) | SeNanE (PDB entry 3q58) | |
|---|---|---|---|---|---|---|
| O1 PO4 3− | Gly206 | Gly209 | Gly203 | Gly203 | Gly215 | Gly207 |
| O2 PO4 3− | Gly207 | Ser210 | Gly204 | Gly204 | Gly216 | Ser208 |
| O3 PO4 3− | Asn185 | Arg188 | Arg182 | Asn182 | Lys194 | Arg186 |
| C1 aldehyde | Gln17 | Gln24 | Gln14 | Gln11 | Gln23 | Gln22 |
| C3 hydroxyl | — | Arg214 | Solvent | — | — | — |
| C4 hydroxyl | Arg211 | Arg214 | Arg208 | Arg208 | Arg220 | Arg212 |
| C5 hydroxyl | Glu183 | Glu188 | Glu180 | Glu180 | Glu192 | Glu184 |
| Acetyl carbonyl | Tyr78 | — | Tyr75 | — | — | — |