LTA4H-4L2L


Information

Protein: Hydrolase/Hydrolase inhibitor from Homo sapiens
PDB ID: 4L2L
Substrate: Leukotriene_A4
Inhibitor: ARM1


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 -8.4 2.0 -4.2 6.2 4.2
Iteration 1
2 Flexible residues
-8.1 -3.7 -3.7 0.0 4.4
Iteration 2
4 Flexible residues
-8.0 -4.6 -4.6 0.0 3.4
Iteration 3
6 Flexible residues
-8.3 -5.2 -5.2 0.0 3.1

ID Inhibitor Original plot Scaled plot Animation
EBound
[kcal/mol]
EMax
[kcal/mol]
ESurface
[kcal/mol]
Ea
[kcal/mol]
ΔEBS
[kcal/mol]
Static -11.1 13.4 -5.0 18.4 6.1
Iteration 1
2 Flexible residues
-10.7 2.8 -5.1 7.9 5.6
Iteration 2
4 Flexible residues
-10.8 -0.7 -5.6 4.9 5.2
Iteration 3
6 Flexible residues
-10.7 -3.4 -5.6 2.2 5.1


Description