Table 2. Comparison of binding affinity and interaction sites of pyridoxine and Ac-FLTD-CMK with CASP-1.
|
Ligand |
Binding affinity (kcal/mol) * |
Key Binding Interaction |
|
|
Pyridoxine |
-4.8 |
Hydrogen: His237, Arg179 Hydrophobic: Cys285 Other: Arg341
|
|
|
Ac-FLTD-CMK (anti- CASP1) |
-9.1 |
Hydrogen: Gly238, Gln283, Arg341 Hydrophobic: His342 Ionic: His237, Arg179, Arg383, Arg341 |
|
|
|
|
Binding pocket:
|
|
*) repeated three times measurement