Study : Lmo0431 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: IPT_G_7(1KRU) / Model_7(1KRU/A) = [3.1] Download778.6328.62MIEQDLQNRLVDQEILHGSDLLDEIHEVKQNNEQLIIELNTKYHTKKEVTKYLSDITGKPVDPSVDVSLPFYSDFGKHITFGKNIFINLNVTFVDLGGITIEDNVLIGPGARLVTVNHLVSPKKRRGLRVAPICVKKNAWIGANTTILSGVTIGENAIVAADATVTKDVPPNVIVAGSPAKQIRKIIEE
Complex: IPT_I_9(1KRU) / Model_30(1KRU/C) = [3.3] Download631.9322.33MIEQDLQNRLVDQEILHGSDLLDEIHEVKQNNEQLIIELNTKYHTKKEVTKYLSDITGKPVDPSVDVSLPFYSDFGKHITFGKNIFINLNVTFVDLGGITIEDNVLIGPGARLVTVNHLVSPKKRRGLRVAPICVKKNAWIGANTTILSGVTIGENAIVAADATVTKDVPPNVIVAGSPAKQIRKIIEE
Complex: IPT_H_8(1KRU) / Model_31(1KRU/B) = [3.3] Download605.3228.62MIEQDLQNRLVDQEILHGSDLLDEIHEVKQNNEQLIIELNTKYHTKKEVTKYLSDITGKPVDPSVDVSLPFYSDFGKHITFGKNIFINLNVTFVDLGGITIEDNVLIGPGARLVTVNHLVSPKKRRGLRVAPICVKKNAWIGANTTILSGVTIGENAIVAADATVTKDVPPNVIVAGSPAKQIRKIIEE
Consensus
[pKd Mean = 3.23]
-671
(s=76)
26
(s=3)
MIEQDLQNRLVDQEILHGSDLLDEIHEVKQNNEQLIIELNTKYHTKKEVTKYLSDITGKPVDPSVDVSLPFYSDFGKHITFGKNIFINLNVTFVDLGGITIEDNVLIGPGARLVTVNHLVSPKKRRGLRVAPICVKKNAWIGANTTILSGVTIGENAIVAADATVTKDVPPNVIVAGSPAKQIRKIIEE