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: DUR_D_15(4AOO) / Model_30(4AOO/C) = [3.3] Download756.7832.50MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Complex: DUR_C_11(4B0H) / Model_133(4B0H/A) = [3.3] Download568.0222.57MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Complex: DUP_B_12(2XCE) / Model_2(2XCE/A) = [3.3] Download658.638.70MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK
Consensus
[pKd Mean = 3.24]
-620
(s=177)
13
(s=11)
MTMQIKIKYLDETQTRISKIEQGDWIDLRAAEDVTIKKDEFKLVPLGVAMELPEGYEAHVVPRSSTYKNFGVIQTNSMGVIDESYKGDNDFWFFPAYALRDTEIKKGDRICQFRIMKKMPAVELVEVEHLGNEDRGGLGSTGTK