TABLE 1.
Residues in contact with glucose in X-ray structure (PDB entry 2e9l) compared to those in top-scoring docked configuration of glucose to KLrP
| X-ray contact residue | Docked structure #1 contact residue | Corresponding residue in KL1 and Consurf value |
|---|---|---|
| Q17 | Q17 | Q75 (9) |
| H120 | H120 | H193 (9) |
| F121 | F121 | W194 (8) |
| N164 | N164 | D238 (9) |
| E165 | E165 | N239 (9) |
| Y309 | Y309 | G372 (8) |
| W345 | W345 | — |
| E373 | E373 | E414 (9) |
| W417 | W417 | W458 (8) |
| E424 | E424 | E465 (9) |
| W425 | W425 | W466 (9) |
| F433 | — | R474 (9) |
Consurf values (in parentheses) calculated by the Consurf server (46).