Table 4. Binding affinity score of dominant compounds in M2 - cytochrome c peroxidase.
|
Ligand |
Binding Affinity |
Receptor Interaction |
Distance (A) |
|
Octadecatrienoic Acid |
THR A:256/Hydrogen |
2.35 |
|
|
-7.3 |
PRO A:258/Hydrogen |
2.11 |
|
|
PRO A:81/Hydrophobic |
4.94 |
||
|
PHE A:93/Hydrophobic |
4.93 |
||
|
HIS A:261/Hydrophobic |
5.04 |
||
|
PHE A:245/Hydrophobic |
4.57 |
||
|
PHE A:260/Hydrophobic |
5.36 |
||
|
MET A:275/Hydrophobic |
5.14 |
||
|
VAL A:235/Hydrophobic |
5.47 |
||
|
ALA A:247/Hydrophobic |
4 |
||
|
|
|
TYR A:212/Hydrophobic |
5.33 |
|
Quinic Acid |
PRO A:81/Hydrogen |
3.38 |
|
|
-7.0 |
THR A:82/Hydrogen |
2.43 |
|
|
ASP A:62/Hydrogen |
2.64 |
||
|
PRO A:258/Hydrogen |
2.04 |
||
|
THR A:256/Hydrogen |
2.1 |
||
|
|
SER A:248/Hydrogen |
2.28 |
|
|
N-Hexadecanoic Acid |
-7.0 |
ASP A:62/Hydrogen |
2.31 |
|
THR A:256/Hydrogen |
2.69 |
||
|
THR A: 82/Hydrogen |
2.8 |
||
|
PHE A: 260/Hydrophobic |
5.17 ; 4.15 |
||
|
ILE A: 253/Hydrophobic |
4.78 |
||
|
TYR A:259/Hydrophobic |
5.16 ; 5.19 |
||
|
LEU A:250/Hydrophobic |
4.63 ; 4.75 |
||
|
ALA A:271/Hydrophobic |
4.38 ; 5.09 |
||
|
MET A:275/Hydrophobic |
5.04 ; 5.21 |
||
|
VAL A:272/Hydrophobic |
3.92 ; 4.10 |
||
|
LEU A:296/Hydrophobic |
4.72 |
||
|
ILE A:292/Hydrophobic |
4.86 |
||
|
|
CYS A:197/Hydrophobic |
4.28 |