Table 1.
Oncogenes and Binding Energy [] | Interacting Amino Acids and Binding Distance () | Interaction Type |
---|---|---|
CDK1 [ΔG = −8.4 kcal/mol] | GLN132 (1.94 Å, 2.72 Å) | Conventional Hydrogen Bond |
ALA145 | Alkyl | |
ALA132, LEU135, PHE82, VAL18 | Pi–Alkyl | |
PHE82 | Pi–Sigma | |
PBK [ΔG = −7.2 kcal/mol] | ASN45 (2.81 Å), ARG278 (2.96 Å), THR24 (3.07 Å) | Conventional Hydrogen Bond |
PRO280 | Alkyl and Pi–Alkyl bonds | |
THR277 | Carbon Hydrogen Bond | |
TYR47 | Pi-Pi-T shaped and Pi-Pi Stacked | |
CHEK1 [ΔG = −8.3 kcal/mol] | ASP148 (2.37 Å) | Conventional Hydrogen Bond |
VAL68, LEU15, LEU84 | Alkyl | |
LEU137, ALA36, VAL23 | Pi–Alkyl | |
GLY90 | Carbon Hydrogen Bond | |
LEU15 | Pi–Sigma | |
SER147 | Pi–Donor Hydrogen bond |