Table 1. The binding of Deguelin (ligand) with specific amino acids present in BH1, BH2 and BH3 domains of receptor proteins.
S.No | Receptor | Domains | Deguelin docking Site | Binding energy (Kcal/mol) | Specific amino acid(s) |
---|---|---|---|---|---|
1 | MCL-1 | BH1, BH2, BH3 | BH1,BH2,BH3 | -6.7 | ASN260,TRP261,GLY262,VAL265,PHE315,PHE318,PHE319 |
2 | BCL2 | BH1, BH2, BH3, BH4 | BH1,BH2,BH3 | -7.0 | THE96,ALA100,GLN99,ASP103,PHE104,TRP144,GLY145,VAL148,TYR202,GLX203,PRO204 |
3 | BCl-XL | BH1, BH2, BH3, BH4 | BH1,BH2,BH3 | -8.3 | ALA93,GLU96,PHE97,ARG100,TRY101,GLY138,VAL141,ALA142,LEU194,TYR195,ALA199,AUA200,SER203 |
4 | BAK | BH1, BH2, BH3 | NA | NA | NA |
5 | BAX | BH1, BH2, BH3 | NA | NA | NA |
6 | BID | BH3 | NA | NA | NA |