Study : D8PII8_9BACT (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: EDO_A_16(3CSV) / Model_45(3CSV/A) = [3.3] Download161.87-1.25MTTTNPAAPAAPLAPPDPARIAKTVATKMPFRGDMTGLTPLAGDASNRRYFRIALKGTPSALILMQLADPEGFKKSEEAVSGASAQIAELPFTNVLAHLQRTGVTVPQLHYYDREAGLLYLEDFGDLTLAEACRDADHARLVALYRQAIDQLVLLQVKGTKPPAPGCIAFHRRFDVPLLMWEFDHFLEYGIVARLGQPMKPADDKAVRAEFQRIAELLAGQSQVFVHRDYHSRNLMVDGSRIGIIDFQDALMGPATYDLASLLKDAYIELDDAVVDGLVDQFLDGLAAHGQGWADRAAFRRLFDFTSIQRNLKAAGRFVYIDRVKHNPKFLADIPRVLGYVKRNLSKYPELATLRQHLAPYVAELQ
Consensus
[pKd Mean = 3.30]
-161
(s=0)
-1
(s=0)
MTTTNPAAPAAPLAPPDPARIAKTVATKMPFRGDMTGLTPLAGDASNRRYFRIALKGTPSALILMQLADPEGFKKSEEAVSGASAQIAELPFTNVLAHLQRTGVTVPQLHYYDREAGLLYLEDFGDLTLAEACRDADHARLVALYRQAIDQLVLLQVKGTKPPAPGCIAFHRRFDVPLLMWEFDHFLEYGIVARLGQPMKPADDKAVRAEFQRIAELLAGQSQVFVHRDYHSRNLMVDGSRIGIIDFQDALMGPATYDLASLLKDAYIELDDAVVDGLVDQFLDGLAAHGQGWADRAAFRRLFDFTSIQRNLKAAGRFVYIDRVKHNPKFLADIPRVLGYVKRNLSKYPELATLRQHLAPYVAELQ