Binding Site Information :
Doc...
Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: A3P_D_4(1FTH) / Model_3(1FTH/A) = [3.1] Download673.33-14.12MIVGHGIDIEELASIESAVTRHEGFAKRVLTAQEMERFTSLKGRRQIEYLAGRWSAKEAFSKAMGTGISKLGFQDLEVLNNERGAPYFSQAPFSGKIWLSISHTDQFVTASVILEENHES
Consensus
[pKd Mean = 3.10]		-673
(s=0)		-14
(s=0)		MIVGHGIDIEELASIESAVTRHEGFAKRVLTAQEMERFTSLKGRRQIEYLAGRWSAKEAFSKAMGTGISKLGFQDLEVLNNERGAPYFSQAPFSGKIWLSISHTDQFVTASVILEENHES



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
ILE7CG1111[O],
ASP8CG514[O], 1[P],
ASP8OD2812[C], 5[O], 1[P],
ASP8OD1411[P], 3[O],
ILE9CG2413[O], 1[P],
GLU10OE1411[P], 3[O],
GLU10CD111[O],
TRP54NE1111[O],
TRP54CZ2111[O],
GLU58CG312[O], 1[P],
GLU58OE2311[P], 2[O],
GLU58OE1711[P], 5[O], 1[C],
GLU58CD413[O], 1[P],
SER61OG914[C], 5[N],
LYS62CD23110[C], 5[N], 7[O], 1[P],
LYS62CE23110[C], 5[N], 7[O], 1[P],
LYS62NZ22110[C], 4[N], 7[O], 1[P],
LYS62CG2115[O], 1[P], 10[C], 5[N],
THR66CG2412[C], 2[N],
THR66OG1512[N], 3[C],
LYS70CE111[N],
LYS70CG111[N],
Total = 22



Download csv file of statistical distribution of contacts