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 :C4_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 C4_S1
Complex: PPV_A_4(4JG4) / Model_2(4JG4/A) = [3.1] Download49.87-2.40MKKNFRVKREKDFKAIFKEGTSFANRKFVVYQLENQKNHFRVGLSVSKKLGNAVTRNQIKRRIRHIIQNAKGSLVEDVDFVVIARKGVETLGYAEMEKNLLHVLKLSKIYREGNGSEKETKVD
Consensus
[pKd Mean = 3.10]		-49
(s=0)		-2
(s=0)		MKKNFRVKREKDFKAIFKEGTSFANRKFVVYQLENQKNHFRVGLSVSKKLGNAVTRNQIKRRIRHIIQNAKGSLVEDVDFVVIARKGVETLGYAEMEKNLLHVLKLSKIYREGNGSEKETKVD



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]
VAL46CG2111[O],
VAL46CG1212[O],
LYS48CG511[P], 4[O],
LYS48NZ611[P], 5[O],
LYS48CD111[O],
LYS48CE411[P], 3[O],
ARG56CD511[P], 4[O],
ARG56CZ917[O], 2[P],
ARG56CG514[O], 1[P],
ARG56NE812[P], 6[O],
ASN57ND2514[O], 1[P],
ASN57CG611[P], 5[O],
ASN57OD1715[O], 2[P],
LYS60NZ912[P], 7[O],
LYS60CD514[O], 1[P],
LYS60CG212[O],
LYS60CE816[O], 2[P],
Total = 17



Download csv file of statistical distribution of contacts