Study : SA2160 (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: NDP_D_8(1O8C) / Model_22(1O8C/D) = [7.5] Download1561.4415.40MIETFKAFVIDKDESGKVTPTFKQLSPTDLPKGDVLIKVHYSGINYKDALATQDHNAVVKSYPMIPGIDLAGTIVESEAPGFEKGEQVIVTSYDLGVSHYGGFSEYARVKSEWIIKLPDTLTLEESMIYGTAGYTAGLAIERLEKVGMNIEDGPVLVRGASGGVGTLAVLMLNELGYKVIASTGKQDVSDQLLELGAKEVIDRLPVEDDHKKPLASSTWQACVDPVGGEGINYVTKRLNHSGSIAVIGMTAGNTYTNSVFPHILRGVNILGIDSVFTAMKLRQRVWRRLAKDLKPENLHEIKQVITFDELPEQLNKVINHENKGRIVIDFGVDK
Complex: NAP_A_3(3NX4) / Model_6(3NX4/A) = [7.9] Download1512.3115.56MIETFKAFVIDKDESGKVTPTFKQLSPTDLPKGDVLIKVHYSGINYKDALATQDHNAVVKSYPMIPGIDLAGTIVESEAPGFEKGEQVIVTSYDLGVSHYGGFSEYARVKSEWIIKLPDTLTLEESMIYGTAGYTAGLAIERLEKVGMNIEDGPVLVRGASGGVGTLAVLMLNELGYKVIASTGKQDVSDQLLELGAKEVIDRLPVEDDHKKPLASSTWQACVDPVGGEGINYVTKRLNHSGSIAVIGMTAGNTYTNSVFPHILRGVNILGIDSVFTAMKLRQRVWRRLAKDLKPENLHEIKQVITFDELPEQLNKVINHENKGRIVIDFGVDK
Complex: NAP_A_3(3NX4) / Model_28(3NX4/A) = [7.9] Download1652.3915.56MIETFKAFVIDKDESGKVTPTFKQLSPTDLPKGDVLIKVHYSGINYKDALATQDHNAVVKSYPMIPGIDLAGTIVESEAPGFEKGEQVIVTSYDLGVSHYGGFSEYARVKSEWIIKLPDTLTLEESMIYGTAGYTAGLAIERLEKVGMNIEDGPVLVRGASGGVGTLAVLMLNELGYKVIASTGKQDVSDQLLELGAKEVIDRLPVEDDHKKPLASSTWQACVDPVGGEGINYVTKRLNHSGSIAVIGMTAGNTYTNSVFPHILRGVNILGIDSVFTAMKLRQRVWRRLAKDLKPENLHEIKQVITFDELPEQLNKVINHENKGRIVIDFGVDK
Complex: NDP_B_6(1O8C) / Model_24(1O8C/B) = [8.3] Download1487.3016.93MIETFKAFVIDKDESGKVTPTFKQLSPTDLPKGDVLIKVHYSGINYKDALATQDHNAVVKSYPMIPGIDLAGTIVESEAPGFEKGEQVIVTSYDLGVSHYGGFSEYARVKSEWIIKLPDTLTLEESMIYGTAGYTAGLAIERLEKVGMNIEDGPVLVRGASGGVGTLAVLMLNELGYKVIASTGKQDVSDQLLELGAKEVIDRLPVEDDHKKPLASSTWQACVDPVGGEGINYVTKRLNHSGSIAVIGMTAGNTYTNSVFPHILRGVNILGIDSVFTAMKLRQRVWRRLAKDLKPENLHEIKQVITFDELPEQLNKVINHENKGRIVIDFGVDK
Complex: NDP_A_5(1O8C) / Model_5(1O8C/A) = [8.7] Download1455.2616.71MIETFKAFVIDKDESGKVTPTFKQLSPTDLPKGDVLIKVHYSGINYKDALATQDHNAVVKSYPMIPGIDLAGTIVESEAPGFEKGEQVIVTSYDLGVSHYGGFSEYARVKSEWIIKLPDTLTLEESMIYGTAGYTAGLAIERLEKVGMNIEDGPVLVRGASGGVGTLAVLMLNELGYKVIASTGKQDVSDQLLELGAKEVIDRLPVEDDHKKPLASSTWQACVDPVGGEGINYVTKRLNHSGSIAVIGMTAGNTYTNSVFPHILRGVNILGIDSVFTAMKLRQRVWRRLAKDLKPENLHEIKQVITFDELPEQLNKVINHENKGRIVIDFGVDK
Consensus
[pKd Mean = 8.06]
-1533
(s=68)
16
(s=0)
MIETFKAFVIDKDESGKVTPTFKQLSPTDLPKGDVLIKVHYSGINYKDALATQDHNAVVKSYPMIPGIDLAGTIVESEAPGFEKGEQVIVTSYDLGVSHYGGFSEYARVKSEWIIKLPDTLTLEESMIYGTAGYTAGLAIERLEKVGMNIEDGPVLVRGASGGVGTLAVLMLNELGYKVIASTGKQDVSDQLLELGAKEVIDRLPVEDDHKKPLASSTWQACVDPVGGEGINYVTKRLNHSGSIAVIGMTAGNTYTNSVFPHILRGVNILGIDSVFTAMKLRQRVWRRLAKDLKPENLHEIKQVITFDELPEQLNKVINHENKGRIVIDFGVDK