Table 5. Hydrophobic and hydrogen bond interaction profiles.
Systems | Protein-ligand interactions | Binding energy (kcal/mol) | |
Hydrogen bonds | Hydrophobic contacts | ||
WT PTCR | Y193, M234, P284 | E141, W229, G235, V286 | 139.56 |
C-terminal-deleted PTCR | Y193 | E141, W229, M234, G235 | 148.65 |
Human carbonyl reductase | - | V96, Y193, M234 | 157.56 |