Study : Lmo0190 (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: GOL_A_7(2V2Q) / Model_11(2V2Q/A) = [3.1] Download296.219.85MKISITAPAKINLSLDALYKREDGYHEVEMVMTTIDLADRLYLERLDEDKIVLDVKAHFIPEDRRNLIYQAALLLKKRFDVKMGVRITIDKHIPVSAGLAGGSSDAAAALKGLNVIWELGLSIEELAEISSEIGSDIAFCVYGGTALATGRGEKISALPNIPGCWIVLAKPSISVSTPTIYKELQVDNVEHPDTQKMIESIKNGDLDGIFAATGNVLESVTLEKNPQVKRIKDRMLAFGAEAALMSGSGPTVFALIKQYSRAKRVYNGLRGFCEEVYMVRPWSEGENDTNINY
Complex: GOL_B_14(2V2Q) / Model_27(2V2Q/B) = [3.1] Download271.7714.43MKISITAPAKINLSLDALYKREDGYHEVEMVMTTIDLADRLYLERLDEDKIVLDVKAHFIPEDRRNLIYQAALLLKKRFDVKMGVRITIDKHIPVSAGLAGGSSDAAAALKGLNVIWELGLSIEELAEISSEIGSDIAFCVYGGTALATGRGEKISALPNIPGCWIVLAKPSISVSTPTIYKELQVDNVEHPDTQKMIESIKNGDLDGIFAATGNVLESVTLEKNPQVKRIKDRMLAFGAEAALMSGSGPTVFALIKQYSRAKRVYNGLRGFCEEVYMVRPWSEGENDTNINY
Complex: GOL_B_16(2V2V) / Model_26(2V2V/B) = [3.3] Download311.1513.13MKISITAPAKINLSLDALYKREDGYHEVEMVMTTIDLADRLYLERLDEDKIVLDVKAHFIPEDRRNLIYQAALLLKKRFDVKMGVRITIDKHIPVSAGLAGGSSDAAAALKGLNVIWELGLSIEELAEISSEIGSDIAFCVYGGTALATGRGEKISALPNIPGCWIVLAKPSISVSTPTIYKELQVDNVEHPDTQKMIESIKNGDLDGIFAATGNVLESVTLEKNPQVKRIKDRMLAFGAEAALMSGSGPTVFALIKQYSRAKRVYNGLRGFCEEVYMVRPWSEGENDTNINY
Complex: ADP_A_2(3PYG) / Model_7(3PYG/A) = [3.8] Download1427.3519.75MKISITAPAKINLSLDALYKREDGYHEVEMVMTTIDLADRLYLERLDEDKIVLDVKAHFIPEDRRNLIYQAALLLKKRFDVKMGVRITIDKHIPVSAGLAGGSSDAAAALKGLNVIWELGLSIEELAEISSEIGSDIAFCVYGGTALATGRGEKISALPNIPGCWIVLAKPSISVSTPTIYKELQVDNVEHPDTQKMIESIKNGDLDGIFAATGNVLESVTLEKNPQVKRIKDRMLAFGAEAALMSGSGPTVFALIKQYSRAKRVYNGLRGFCEEVYMVRPWSEGENDTNINY
Complex: CDM_A_2(3PYE) / Model_5(3PYE/A) = [4.3] Download960.6821.30MKISITAPAKINLSLDALYKREDGYHEVEMVMTTIDLADRLYLERLDEDKIVLDVKAHFIPEDRRNLIYQAALLLKKRFDVKMGVRITIDKHIPVSAGLAGGSSDAAAALKGLNVIWELGLSIEELAEISSEIGSDIAFCVYGGTALATGRGEKISALPNIPGCWIVLAKPSISVSTPTIYKELQVDNVEHPDTQKMIESIKNGDLDGIFAATGNVLESVTLEKNPQVKRIKDRMLAFGAEAALMSGSGPTVFALIKQYSRAKRVYNGLRGFCEEVYMVRPWSEGENDTNINY
Consensus
[pKd Mean = 3.52]
-653
(s=465)
15
(s=4)
MKISITAPAKINLSLDALYKREDGYHEVEMVMTTIDLADRLYLERLDEDKIVLDVKAHFIPEDRRNLIYQAALLLKKRFDVKMGVRITIDKHIPVSAGLAGGSSDAAAALKGLNVIWELGLSIEELAEISSEIGSDIAFCVYGGTALATGRGEKISALPNIPGCWIVLAKPSISVSTPTIYKELQVDNVEHPDTQKMIESIKNGDLDGIFAATGNVLESVTLEKNPQVKRIKDRMLAFGAEAALMSGSGPTVFALIKQYSRAKRVYNGLRGFCEEVYMVRPWSEGENDTNINY