Study : SA2420 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: PAE_A_15(1EW8) / Model_12(1EW8/A) = [3.2] Download327.27-12.50MLSVKKATKFAVANLIIVSTVFSSVTPAIAQSDKSSKDESFAVGNTKNPKNVIFLVGDGMGPSFNTAYRYYKNDSHAKEMTPTAFDSYLKGTNRTYSNDPKQNITDSAAGGTAFSSGHKTYNGAIGVDSNKQKVKTVLERAKEKGKSTGLVSTAELTDATPAAYAAHVTSRDDKNEIAKQFYKDKINGKHKVDVLLGGGAKYFGKSNGNLDKKFKKDGYDLATNSKDLSKSDKDKVLGLFADKNMPLAIDASKDEPSLADMQQSALSKLERNKKGFFLMVEGASIDKSAHSNDITGVMSEMEGFEKAFDDAIQYAKKHKDTLVVATADHSTGGLTIGKDKGYEWNPQPIKSMKHSGSYMTEKMAKGEDPEKVINEGYGFEFSQDDMKKVKKENKKLQKLLKKEKDEKSADVEKQTKALQHAIQKPVNDKSYTGWTSDGHTGEDVNTYAYGPRSESFSGNIENTESAKIIFDIFK
Complex: PAE_B_16(1EW8) / Model_35(1EW8/B) = [3.7] Download447.94-14.82MLSVKKATKFAVANLIIVSTVFSSVTPAIAQSDKSSKDESFAVGNTKNPKNVIFLVGDGMGPSFNTAYRYYKNDSHAKEMTPTAFDSYLKGTNRTYSNDPKQNITDSAAGGTAFSSGHKTYNGAIGVDSNKQKVKTVLERAKEKGKSTGLVSTAELTDATPAAYAAHVTSRDDKNEIAKQFYKDKINGKHKVDVLLGGGAKYFGKSNGNLDKKFKKDGYDLATNSKDLSKSDKDKVLGLFADKNMPLAIDASKDEPSLADMQQSALSKLERNKKGFFLMVEGASIDKSAHSNDITGVMSEMEGFEKAFDDAIQYAKKHKDTLVVATADHSTGGLTIGKDKGYEWNPQPIKSMKHSGSYMTEKMAKGEDPEKVINEGYGFEFSQDDMKKVKKENKKLQKLLKKEKDEKSADVEKQTKALQHAIQKPVNDKSYTGWTSDGHTGEDVNTYAYGPRSESFSGNIENTESAKIIFDIFK
Consensus
[pKd Mean = 3.45]
-387
(s=60)
-13
(s=1)
MLSVKKATKFAVANLIIVSTVFSSVTPAIAQSDKSSKDESFAVGNTKNPKNVIFLVGDGMGPSFNTAYRYYKNDSHAKEMTPTAFDSYLKGTNRTYSNDPKQNITDSAAGGTAFSSGHKTYNGAIGVDSNKQKVKTVLERAKEKGKSTGLVSTAELTDATPAAYAAHVTSRDDKNEIAKQFYKDKINGKHKVDVLLGGGAKYFGKSNGNLDKKFKKDGYDLATNSKDLSKSDKDKVLGLFADKNMPLAIDASKDEPSLADMQQSALSKLERNKKGFFLMVEGASIDKSAHSNDITGVMSEMEGFEKAFDDAIQYAKKHKDTLVVATADHSTGGLTIGKDKGYEWNPQPIKSMKHSGSYMTEKMAKGEDPEKVINEGYGFEFSQDDMKKVKKENKKLQKLLKKEKDEKSADVEKQTKALQHAIQKPVNDKSYTGWTSDGHTGEDVNTYAYGPRSESFSGNIENTESAKIIFDIFK