Study : bsu25250 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ADP_A_3(3FWR) / Model_2(3FWR/A) = [5.3] Download1234.3820.38MSTIELNKRQEHILQIVKENGPITGEHIAEKLNLTRATLRPDLAILTMSGFLEARPRVGYFYTGKTGTQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRDAVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIAKHLIEKQIDALPVIKDTDKGFEVIGRVTKTNMTKILVSLSENEIL
Complex: ADP_B_4(3FWR) / Model_22(3FWR/B) = [5.3] Download1059.3819.82MSTIELNKRQEHILQIVKENGPITGEHIAEKLNLTRATLRPDLAILTMSGFLEARPRVGYFYTGKTGTQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRDAVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIAKHLIEKQIDALPVIKDTDKGFEVIGRVTKTNMTKILVSLSENEIL
Complex: ANP_A_3(3FWS) / Model_3(3FWS/A) = [5.8] Download1222.9716.05MSTIELNKRQEHILQIVKENGPITGEHIAEKLNLTRATLRPDLAILTMSGFLEARPRVGYFYTGKTGTQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRDAVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIAKHLIEKQIDALPVIKDTDKGFEVIGRVTKTNMTKILVSLSENEIL
Complex: ANP_B_7(3FWS) / Model_21(3FWS/B) = [6.7] Download1177.3419.82MSTIELNKRQEHILQIVKENGPITGEHIAEKLNLTRATLRPDLAILTMSGFLEARPRVGYFYTGKTGTQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRDAVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIAKHLIEKQIDALPVIKDTDKGFEVIGRVTKTNMTKILVSLSENEIL
Consensus
[pKd Mean = 5.77]
-1173
(s=69)
19
(s=1)
MSTIELNKRQEHILQIVKENGPITGEHIAEKLNLTRATLRPDLAILTMSGFLEARPRVGYFYTGKTGTQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRDAVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIAKHLIEKQIDALPVIKDTDKGFEVIGRVTKTNMTKILVSLSENEIL