Study : bsu08440 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: SKZ_A_2(3TNY) / Model_34(3TNY/A) = [8.1] Download1290.0619.45MKKHISMLFVFLMAVMVLSACNSSESSSNSEVSSSKTRTVKHAMGTSDNIPANPKRIVVLTNEGTEALLALGIKPVGAVKSWKGDPWYDYLKDDMKGVKNVGLETEPNVEAIAELKPDLIIGNKVRQEKIYDQLNAIAPTVFAESLAGNWKDNLTLYANAVNKADKGKEVIADFDKRVSDLKNKLGDQTNKTVSVVRFLSGESRIYYTDSFPGIILDQLGFKRPEKQVELFKKQKDQFTFSTDSKESIPDMDADVLFYFTYKADNAKENEKWANQWTSSSLWKNLKAVKSGNAHEVDDVVWTTAGGIKAANYLLDDIETYFLKTK
Complex: SKZ_A_2(3TNY) / Model_1(3TNY/A) = [8.1] Download1224.5719.45MKKHISMLFVFLMAVMVLSACNSSESSSNSEVSSSKTRTVKHAMGTSDNIPANPKRIVVLTNEGTEALLALGIKPVGAVKSWKGDPWYDYLKDDMKGVKNVGLETEPNVEAIAELKPDLIIGNKVRQEKIYDQLNAIAPTVFAESLAGNWKDNLTLYANAVNKADKGKEVIADFDKRVSDLKNKLGDQTNKTVSVVRFLSGESRIYYTDSFPGIILDQLGFKRPEKQVELFKKQKDQFTFSTDSKESIPDMDADVLFYFTYKADNAKENEKWANQWTSSSLWKNLKAVKSGNAHEVDDVVWTTAGGIKAANYLLDDIETYFLKTK
Consensus
[pKd Mean = 8.10]
-1257
(s=32)
19
(s=0)
MKKHISMLFVFLMAVMVLSACNSSESSSNSEVSSSKTRTVKHAMGTSDNIPANPKRIVVLTNEGTEALLALGIKPVGAVKSWKGDPWYDYLKDDMKGVKNVGLETEPNVEAIAELKPDLIIGNKVRQEKIYDQLNAIAPTVFAESLAGNWKDNLTLYANAVNKADKGKEVIADFDKRVSDLKNKLGDQTNKTVSVVRFLSGESRIYYTDSFPGIILDQLGFKRPEKQVELFKKQKDQFTFSTDSKESIPDMDADVLFYFTYKADNAKENEKWANQWTSSSLWKNLKAVKSGNAHEVDDVVWTTAGGIKAANYLLDDIETYFLKTK