Study : Wbm0148 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: MRD_A_3(3V9P) / Model_79(3V9P/A) = [3.1] Download529.0225.29MFITFEGIDGSGKTIQSELLANYFKQIHGENNMVLTREPGGTDFAEKVRGILLKDSIDPVSELLLLISMRYEHVKKVILPALKKGKIVICDRFIDSTIAYQGYGLGVDLELIRDLHKLVKIKYPDTTFILDIDVQIGLSRAMDKNKYEEMNISFYNKVRKGFQEIAINEPDRCSIITEIEAKDNNQVHVEIVNKVTATKPVLLRK
Complex: TYD_B_7(3HJN) / Model_46(3HJN/B) = [5.2] Download894.2816.00MFITFEGIDGSGKTIQSELLANYFKQIHGENNMVLTREPGGTDFAEKVRGILLKDSIDPVSELLLLISMRYEHVKKVILPALKKGKIVICDRFIDSTIAYQGYGLGVDLELIRDLHKLVKIKYPDTTFILDIDVQIGLSRAMDKNKYEEMNISFYNKVRKGFQEIAINEPDRCSIITEIEAKDNNQVHVEIVNKVTATKPVLLRK
Complex: TYD_A_4(3HJN) / Model_47(3HJN/A) = [6.5] Download909.9015.61MFITFEGIDGSGKTIQSELLANYFKQIHGENNMVLTREPGGTDFAEKVRGILLKDSIDPVSELLLLISMRYEHVKKVILPALKKGKIVICDRFIDSTIAYQGYGLGVDLELIRDLHKLVKIKYPDTTFILDIDVQIGLSRAMDKNKYEEMNISFYNKVRKGFQEIAINEPDRCSIITEIEAKDNNQVHVEIVNKVTATKPVLLRK
Complex: TYD_A_4(3HJN) / Model_82(3HJN/A) = [6.5] Download973.5615.61MFITFEGIDGSGKTIQSELLANYFKQIHGENNMVLTREPGGTDFAEKVRGILLKDSIDPVSELLLLISMRYEHVKKVILPALKKGKIVICDRFIDSTIAYQGYGLGVDLELIRDLHKLVKIKYPDTTFILDIDVQIGLSRAMDKNKYEEMNISFYNKVRKGFQEIAINEPDRCSIITEIEAKDNNQVHVEIVNKVTATKPVLLRK
Consensus
[pKd Mean = 5.33]		-826
(s=174)		18
(s=4)		MFITFEGIDGSGKTIQSELLANYFKQIHGENNMVLTREPGGTDFAEKVRGILLKDSIDPVSELLLLISMRYEHVKKVILPALKKGKIVICDRFIDSTIAYQGYGLGVDLELIRDLHKLVKIKYPDTTFILDIDVQIGLSRAMDKNKYEEMNISFYNKVRKGFQEIAINEPDRCSIITEIEAKDNNQVHVEIVNKVTATKPVLLRK