CETP-4EWS-Channel


Information

Protein: Lipid trasnsport/Inhibitor from Homo sapiens
PDB ID: 4EWS
Substrate: Cholesterol
Inhibitor: Torcetrapib


CaverDock results

ID Substrate Original plot Scaled plot Animation
EBound
[kcal/mol]
EMax
[kcal/mol]
ESurface
[kcal/mol]
Ea
[kcal/mol]
ΔEBS
[kcal/mol]
Static -9.5 -5.7 -5.9 0.2 3.6
Iteration 1
2 Flexible residues
-9.3 -5.9 -5.9 0.0 3.4
Iteration 2
4 Flexible residues
-9.5 -6.1 -6.1 0.0 3.4
Iteration 3
6 Flexible residues
-9.5 -5.9 -5.9 0.0 3.6

ID Inhibitor Original plot Scaled plot Animation
EBound
[kcal/mol]
EMax
[kcal/mol]
ESurface
[kcal/mol]
Ea
[kcal/mol]
ΔEBS
[kcal/mol]
Static -10.1 -5.2 -6.9 1.7 3.2
Iteration 1
2 Flexible residues
-10.2 -6.4 -7.7 1.3 2.5
Iteration 2
4 Flexible residues
-9.9 -6.9 -7.7 0.8 2.2
Iteration 3
6 Flexible residues
-10.0 -5.5 -7.5 2.0 2.5


Description