Study : bsu39640 (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: ADP_A_5(2HYD) / Model_91(2HYD/A) = [4.2] Download1271.7517.88MANMLEVKHINKTYKGQVSYQALKQISFSIEEGEFTAVMGPSGSGKTTLLNIISTIDRPDSGDILINGENPHRLKRTKLAHFRRKQLGFVFQDFNLLDTLTIGENIMLPLTLEKEAPSVMEEKLHGIAAKLGIENLLNKRTFEVSGGQRQRAAIARAVIHKPSLILADEPTGNLDSKATKDVMETLQSLNRDDHVTALMVTHDPVSASYCRRVIFIKDGELFNEIYRGENRQVFYEQILDVLSMLGGNANDLSSVRL
Complex: ADP_B_6(2HYD) / Model_90(2HYD/B) = [5.5] Download1487.6619.31MANMLEVKHINKTYKGQVSYQALKQISFSIEEGEFTAVMGPSGSGKTTLLNIISTIDRPDSGDILINGENPHRLKRTKLAHFRRKQLGFVFQDFNLLDTLTIGENIMLPLTLEKEAPSVMEEKLHGIAAKLGIENLLNKRTFEVSGGQRQRAAIARAVIHKPSLILADEPTGNLDSKATKDVMETLQSLNRDDHVTALMVTHDPVSASYCRRVIFIKDGELFNEIYRGENRQVFYEQILDVLSMLGGNANDLSSVRL
Complex: ANP_A_8(2ONJ) / Model_89(2ONJ/A) = [5.8] Download1294.8021.95MANMLEVKHINKTYKGQVSYQALKQISFSIEEGEFTAVMGPSGSGKTTLLNIISTIDRPDSGDILINGENPHRLKRTKLAHFRRKQLGFVFQDFNLLDTLTIGENIMLPLTLEKEAPSVMEEKLHGIAAKLGIENLLNKRTFEVSGGQRQRAAIARAVIHKPSLILADEPTGNLDSKATKDVMETLQSLNRDDHVTALMVTHDPVSASYCRRVIFIKDGELFNEIYRGENRQVFYEQILDVLSMLGGNANDLSSVRL
Complex: ACP_A_4(4AYX) / Model_100(4AYX/A) = [5.8] Download1408.0320.40MANMLEVKHINKTYKGQVSYQALKQISFSIEEGEFTAVMGPSGSGKTTLLNIISTIDRPDSGDILINGENPHRLKRTKLAHFRRKQLGFVFQDFNLLDTLTIGENIMLPLTLEKEAPSVMEEKLHGIAAKLGIENLLNKRTFEVSGGQRQRAAIARAVIHKPSLILADEPTGNLDSKATKDVMETLQSLNRDDHVTALMVTHDPVSASYCRRVIFIKDGELFNEIYRGENRQVFYEQILDVLSMLGGNANDLSSVRL
Complex: ANP_B_7(2ONJ) / Model_88(2ONJ/B) = [5.9] Download1445.2319.45MANMLEVKHINKTYKGQVSYQALKQISFSIEEGEFTAVMGPSGSGKTTLLNIISTIDRPDSGDILINGENPHRLKRTKLAHFRRKQLGFVFQDFNLLDTLTIGENIMLPLTLEKEAPSVMEEKLHGIAAKLGIENLLNKRTFEVSGGQRQRAAIARAVIHKPSLILADEPTGNLDSKATKDVMETLQSLNRDDHVTALMVTHDPVSASYCRRVIFIKDGELFNEIYRGENRQVFYEQILDVLSMLGGNANDLSSVRL
Consensus
[pKd Mean = 5.44]
-1381
(s=84)
19
(s=1)
MANMLEVKHINKTYKGQVSYQALKQISFSIEEGEFTAVMGPSGSGKTTLLNIISTIDRPDSGDILINGENPHRLKRTKLAHFRRKQLGFVFQDFNLLDTLTIGENIMLPLTLEKEAPSVMEEKLHGIAAKLGIENLLNKRTFEVSGGQRQRAAIARAVIHKPSLILADEPTGNLDSKATKDVMETLQSLNRDDHVTALMVTHDPVSASYCRRVIFIKDGELFNEIYRGENRQVFYEQILDVLSMLGGNANDLSSVRL