Study : SA2317 (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: EDO_C_14(4J3G) / Model_31(4J3G/C) = [3.1] Download495.2021.06MIRCAKKEDLNAILAIYNDAIINTTAVYTYKPQTIDERIAWFETKQRNHEPIFVFEENGSVLGFATFGSFRPWPAYQYTIEHSIYVDASARGKGIASQLLQRLIVEAKAKGYRTLVAGIDASNEASIKLHQKFNFKHAGTLTNVGYKFDYWLDLAFYELDLKD
Complex: EDO_D_17(4J3G) / Model_30(4J3G/D) = [3.1] Download422.0527.64MIRCAKKEDLNAILAIYNDAIINTTAVYTYKPQTIDERIAWFETKQRNHEPIFVFEENGSVLGFATFGSFRPWPAYQYTIEHSIYVDASARGKGIASQLLQRLIVEAKAKGYRTLVAGIDASNEASIKLHQKFNFKHAGTLTNVGYKFDYWLDLAFYELDLKD
Complex: EDO_B_10(4J3G) / Model_32(4J3G/B) = [3.2] Download520.0621.19MIRCAKKEDLNAILAIYNDAIINTTAVYTYKPQTIDERIAWFETKQRNHEPIFVFEENGSVLGFATFGSFRPWPAYQYTIEHSIYVDASARGKGIASQLLQRLIVEAKAKGYRTLVAGIDASNEASIKLHQKFNFKHAGTLTNVGYKFDYWLDLAFYELDLKD
Complex: FLC_A_3(4JXR) / Model_14(4JXR/A) = [3.5] Download772.3414.11MIRCAKKEDLNAILAIYNDAIINTTAVYTYKPQTIDERIAWFETKQRNHEPIFVFEENGSVLGFATFGSFRPWPAYQYTIEHSIYVDASARGKGIASQLLQRLIVEAKAKGYRTLVAGIDASNEASIKLHQKFNFKHAGTLTNVGYKFDYWLDLAFYELDLKD
Complex: FLC_A_4(4JXQ) / Model_13(4JXQ/A) = [3.5] Download980.3314.11MIRCAKKEDLNAILAIYNDAIINTTAVYTYKPQTIDERIAWFETKQRNHEPIFVFEENGSVLGFATFGSFRPWPAYQYTIEHSIYVDASARGKGIASQLLQRLIVEAKAKGYRTLVAGIDASNEASIKLHQKFNFKHAGTLTNVGYKFDYWLDLAFYELDLKD
Consensus
[pKd Mean = 3.28]
-637
(s=207)
19
(s=5)
MIRCAKKEDLNAILAIYNDAIINTTAVYTYKPQTIDERIAWFETKQRNHEPIFVFEENGSVLGFATFGSFRPWPAYQYTIEHSIYVDASARGKGIASQLLQRLIVEAKAKGYRTLVAGIDASNEASIKLHQKFNFKHAGTLTNVGYKFDYWLDLAFYELDLKD