Study : A3JGG7_9ALTE (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: MES_B_5(3I1A) / Model_38(3I1A/B) = [3.2] Download434.5428.75MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI
Complex: ATP_A_8(3ATT) / Model_45(3ATT/A) = [3.6] Download578.6032.62MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI
Complex: BEZ_A_2(6EF6) / Model_29(6EF6/A) = [3.8] Download530.9719.40MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI
Complex: GNP_C_13(5IQI) / Model_46(5IQI/C) = [5.5] Download1891.0622.38MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI
Consensus
[pKd Mean = 4.03]
-858
(s=598)
25
(s=5)
MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI