Study : bsu17660 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: DUP_C_14(2XCE) / Model_36(2XCE/B) = [3.1] Download813.933.22MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Complex: DUP_D_11(2XY3) / Model_52(2XY3/F) = [3.2] Download307.331.44MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Complex: DUD_C_8(2Y1T) / Model_51(2Y1T/B) = [3.3] Download978.7014.78MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Complex: DUR_C_11(4AOO) / Model_31(4AOO/B) = [3.3] Download665.1626.43MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Complex: DUP_A_7(2XCE) / Model_35(2XCE/C) = [3.3] Download1121.288.70MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Consensus
[pKd Mean = 3.24]
-777
(s=280)
10
(s=9)
MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK