Table 5.
Target protein | Binding constant (μM) | Binding energy (kcal/mol) | Residues involved in binding | Residues involved in H- bonding |
---|---|---|---|---|
Apaf-1 | 0.456 | -8.65 | ASP244, SER161, HIS438, PRO123, VAL125, SER325, LEU322, PRO321, GLY159, GLY157, CYS158, LYS160, MET155, ARG265 | SER325, GLY159, LYS160 |
PCNA | 3.03 | -7.53 | ASP29, CYS27, GLU25, ASN24, ILE23, SER42, ASP41, HIS44, MET40, GLU124, LEU126, GLN38, VAL123 | GLU25, LEU126 |
Bcl-2 | 41.14 | -5.98 | TYR67, ARG66, PHE63, ASP62, ALA59, ALA108, LEU96, ARG105, GLY104, ASN102 | ARG105 |