MMP13-1XUD


Information

Protein: Hydrolase from Homo sapiens
PDB ID: 1XUD
Substrate: Collagen
Inhibitor: PB4


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 -6.9 -4.3 -5.7 1.4 1.2
Iteration 1
2 Flexible residues
-7.1 -4.9 -5.9 1.0 1.2
Iteration 2
4 Flexible residues
-6.7 -5.0 -5.8 0.8 0.9
Iteration 3
6 Flexible residues
-7.2 -4.8 -5.6 0.8 1.6

ID Inhibitor Original plot Scaled plot Animation
EBound
[kcal/mol]
EMax
[kcal/mol]
ESurface
[kcal/mol]
Ea
[kcal/mol]
ΔEBS
[kcal/mol]
Static -11.6 -8.1 -8.6 0.5 3.0
Iteration 1
2 Flexible residues
-12.0 -8.1 -8.5 0.4 3.5
Iteration 2
4 Flexible residues
-12.5 -8.1 -8.8 0.7 3.7
Iteration 3
6 Flexible residues
-11.8 -8.3 -8.6 0.3 3.2


Description