iNOS-3EBF


Information

Protein: Oxidoreductase from Mus musculus
PDB ID: 3EBF
Substrate: L-arginine
Inhibitor: 332


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 -5.9 -3.0 -3.2 0.2 2.7
Iteration 1
2 Flexible residues
-5.9 -2.9 -3.1 0.2 2.8
Iteration 2
4 Flexible residues
-5.9 -2.9 -3.2 0.3 2.7
Iteration 3
6 Flexible residues
-6.0 -2.8 -2.9 0.1 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 -7.9 -5.7 -5.7 0.0 2.2
Iteration 1
2 Flexible residues
-8.9 -5.4 -5.7 0.3 3.2
Iteration 2
4 Flexible residues
-9.3 -5.2 -5.2 0.0 4.1
Iteration 3
6 Flexible residues
-8.9 -5.2 -5.2 0.0 3.7


Description