Binding Site Information :
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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 :C1_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 C1_S1
Complex: EDO_A_16(3CSV) / Model_1(3CSV/A) = [3.3] Download221.526.83MQMNTQREQLIHTWLTSVLENDQFQIAYLAGDASFRRYACIQLQNKTYMLMDAPPEKEDCVPFVTIDEFFAGHGVRVPQIVAKDLNQGFLLLEDFGDVLLSTLLNDETVDQYYEQSFKQLIHLQSINGAEHFLAYSYEKLLSEMQLLTDWMLPSLDIHPTAEQKKTIDDAFDFLAQAALAQPQVIVHRDFHSRNLMKIANEEELGVIDFQDAVIGADTYDLISITRDAYVQWNAERVYQWFKVFYELLPASARQNRSFDQFKRDADLMAIQRHIKILGIFVRLFERDGKSGYLKDLPRVMWYLLEESRGYHELDDFMAFIHSSVMPKFIEKYGPYEVAA
Consensus
[pKd Mean = 3.30]		-221
(s=0)		6
(s=0)		MQMNTQREQLIHTWLTSVLENDQFQIAYLAGDASFRRYACIQLQNKTYMLMDAPPEKEDCVPFVTIDEFFAGHGVRVPQIVAKDLNQGFLLLEDFGDVLLSTLLNDETVDQYYEQSFKQLIHLQSINGAEHFLAYSYEKLLSEMQLLTDWMLPSLDIHPTAEQKKTIDDAFDFLAQAALAQPQVIVHRDFHSRNLMKIANEEELGVIDFQDAVIGADTYDLISITRDAYVQWNAERVYQWFKVFYELLPASARQNRSFDQFKRDADLMAIQRHIKILGIFVRLFERDGKSGYLKDLPRVMWYLLEESRGYHELDDFMAFIHSSVMPKFIEKYGPYEVAA



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]
MET144SD311[C], 2[O],
MET144CE412[C], 2[O],
MET144CG111[O],
MET144CB111[O],
ARG188CZ412[O], 2[C],
ARG188CA311[O], 2[C],
ARG188N211[O], 1[C],
ARG188NE412[C], 2[O],
ARG188CG412[C], 2[O],
ARG188C311[O], 2[C],
ARG188O412[C], 2[O],
ARG188CD412[C], 2[O],
ARG188CB412[O], 2[C],
ASP189N111[C],
ASP189CG111[C],
ASP189OD1111[C],
ASP189OD2212[C],
VAL213CG2111[O],
TYR219CZ412[O], 2[C],
TYR219CD1111[O],
TYR219CE2311[O], 2[C],
TYR219CE1211[O], 1[C],
TYR219CD2211[C], 1[O],
TYR219CG111[O],
ARG272NE312[C], 1[O],
ARG272CZ311[O], 2[C],
LYS275CD412[O], 2[C],
LYS275NZ412[C], 2[O],
LYS275CE412[O], 2[C],
LYS275CG211[C], 1[O],
ILE279CD1211[O], 1[C],
Total = 31



Download csv file of statistical distribution of contacts