Table 2.
Summary of Residues Located within Typical Hydrogen-Bonding Distance with Ordered Waters in the Extracellular Domain for Both WT ASR and D217E ASR
| Residue (H-Bond Distance (Å)) WT | Water | Water RMSD (Å) | Residue (H-Bond Distance (Å)) D217E |
|---|---|---|---|
| ATR Schiff base (2.57), Tyr51 (2.92), Asp75 (2.74), Trp76 (2.94) | 402 | 0.22 | ATR Schiff base (3.13), Tyr51 (2.99), Asp75 (2.91), Trp76 (2.88) |
| Arg72 NH1 (3.14) | 403 | 0.91 | His8 (2.74), Arg72 NH1 (2.74) |
| Arg72 (3.14), Tyr73 (3.18), Wat405 (2.96) | 404 | 0.87 | Arg72 (2.67), Tyr73 (3.02), Wat405 (2.50) |
| Ser188 (2.81), Wat406 (2.81) | 405 | 0.49 | Ser188 (2.71), Wat406 (2.88) |
| Trp183 C = O (2.79), Ser188 NH (2.96), Asp198 (3.16) | 406 | 0.15 | Trp183 C = O (2.72), Ser188 NH (2.98), Asp198 (3.10) |
| Ala68 C = O (2.96), Asp120 (2.59) | 407 | 0.43 | Ala68 C = O (2.96), Asp120 (2.48) |
| Arg72 NH2 (2.98), Gln195 (2.58), Asp198 (2.56) | 408 | 1.72 | Arg72 NH1 (3.14), Arg72 NH2 (3.06), Gln195 (2.32), Asp198 (2.25) |