Study : bsu08310 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: IPA_A_6(3TIF) / Model_69(3TIF/B) = [3.1] Download136.9119.75MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD
Complex: ATP_C_3(1VCI) / Model_61(1VCI/A) = [4.4] Download912.583.27MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD
Complex: ADP_A_3(4P31) / Model_6(4P31/A) = [6.5] Download659.317.50MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD
Complex: ADP_A_3(4P32) / Model_4(4P32/A) = [6.6] Download928.347.50MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD
Complex: ADP_B_5(4P32) / Model_22(4P32/B) = [6.8] Download1139.056.67MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD
Consensus
[pKd Mean = 5.48]
-755
(s=344)
8
(s=5)
MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD