Table 7.
Binding affinity and interactions of SOD1 wild type and mutant variants (G38R and G42D) with residue-level details
| Wild type | Mutant G38R | Mutant G42D | ||||||
|---|---|---|---|---|---|---|---|---|
| Binding Affinity | − 5.7 | Binding Affinity | − 6.3 | Binding Affinity | − 6.27 | |||
| Interacting residue | Distance | Bond type | Interacting residue | Distance | Bond type | Interacting residue | Distance | Bond type |
| VAL A:8 | 2.61 | Conventional hydrogen bond | VAL A:8 | 2.67 | Conventional hydrogen bond | VAL A:8 | 2.65 | Conventional hydrogen bond |
| VAL A:149 | 3.79 | Pi-donor hydrogen bond | VAL A:149 | 3.78 | Pi-donor hydrogen bond | VAL A:149 | 3.89 | Pi-donor hydrogen bond |
| LYS A:10 | 4.81 | Pi-alkyl | LYS A:10 | 4.85 | Pi-alkyl | ASN A:54 | 3.51 | Pi-donor hydrogen bond |
| VAL B:149 | 5.09 | Pi-alkyl | VAL B:149 | 5.34 | Pi-alkyl | LYS A:10 | 3.91 | Pi-alkyl |
| VAL B:149 | 5.14 | Pi-alkyl | ||||||