Study : PA4862 (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: ATP_A_7(4YMU) / Model_27(4YMU/A) = [5.2] Download874.9220.40MLQVDKLHQYYGGSHILRGLSFEAKVGEVTCLLGRNGVGKTTLLRCLMGLVPAREGQVAWEGRSLTGLRPHQRVRAGIAYVPQGREIFPRLTVEENLLMGLSRFSARDARAVPDFIYELFPVLREMKQRRGGDLSGGQQQQLAIGRALASQPRLLILDEPTEGIQPSVIKEIGAVVRSLAARGDMAILLVEQFYDFAAELADQYLVMARGEIVQQGRGRDMESEGVRGLVAI
Complex: ANP_J_5(3C41) / Model_13(3C41/J) = [5.6] Download884.8418.47MLQVDKLHQYYGGSHILRGLSFEAKVGEVTCLLGRNGVGKTTLLRCLMGLVPAREGQVAWEGRSLTGLRPHQRVRAGIAYVPQGREIFPRLTVEENLLMGLSRFSARDARAVPDFIYELFPVLREMKQRRGGDLSGGQQQQLAIGRALASQPRLLILDEPTEGIQPSVIKEIGAVVRSLAARGDMAILLVEQFYDFAAELADQYLVMARGEIVQQGRGRDMESEGVRGLVAI
Complex: ADP_A_2(4U00) / Model_2(4U00/A) = [6.4] Download848.8313.38MLQVDKLHQYYGGSHILRGLSFEAKVGEVTCLLGRNGVGKTTLLRCLMGLVPAREGQVAWEGRSLTGLRPHQRVRAGIAYVPQGREIFPRLTVEENLLMGLSRFSARDARAVPDFIYELFPVLREMKQRRGGDLSGGQQQQLAIGRALASQPRLLILDEPTEGIQPSVIKEIGAVVRSLAARGDMAILLVEQFYDFAAELADQYLVMARGEIVQQGRGRDMESEGVRGLVAI
Complex: ATP_A_2(1JI0) / Model_71(1JI0/A) = [7.2] Download824.113.24MLQVDKLHQYYGGSHILRGLSFEAKVGEVTCLLGRNGVGKTTLLRCLMGLVPAREGQVAWEGRSLTGLRPHQRVRAGIAYVPQGREIFPRLTVEENLLMGLSRFSARDARAVPDFIYELFPVLREMKQRRGGDLSGGQQQQLAIGRALASQPRLLILDEPTEGIQPSVIKEIGAVVRSLAARGDMAILLVEQFYDFAAELADQYLVMARGEIVQQGRGRDMESEGVRGLVAI
Complex: ATP_A_2(1JI0) / Model_1(1JI0/A) = [7.2] Download979.753.24MLQVDKLHQYYGGSHILRGLSFEAKVGEVTCLLGRNGVGKTTLLRCLMGLVPAREGQVAWEGRSLTGLRPHQRVRAGIAYVPQGREIFPRLTVEENLLMGLSRFSARDARAVPDFIYELFPVLREMKQRRGGDLSGGQQQQLAIGRALASQPRLLILDEPTEGIQPSVIKEIGAVVRSLAARGDMAILLVEQFYDFAAELADQYLVMARGEIVQQGRGRDMESEGVRGLVAI
Consensus
[pKd Mean = 6.32]
-882
(s=53)
11
(s=7)
MLQVDKLHQYYGGSHILRGLSFEAKVGEVTCLLGRNGVGKTTLLRCLMGLVPAREGQVAWEGRSLTGLRPHQRVRAGIAYVPQGREIFPRLTVEENLLMGLSRFSARDARAVPDFIYELFPVLREMKQRRGGDLSGGQQQQLAIGRALASQPRLLILDEPTEGIQPSVIKEIGAVVRSLAARGDMAILLVEQFYDFAAELADQYLVMARGEIVQQGRGRDMESEGVRGLVAI