Study : Lmo0476 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: DTP_B_9(4RXP) / Model_30(4RXP/B) = [3.4] Download921.80-0.59MKMTDPLYGTFEIEPVLAELIQSPLVSRLAHVHQGGSSYLVNPLWDLSRLDHSIGVMLFIRKFGGSLEEQIAGLLHDVSHTAFSHVVDYALDFEEEDYHEQIFEDFVKTSTIPAILEKYGYSFEGIFNDISKWKILEQEAPELCADRIDYTLQDLYRHGKISLAEVKEFLQALVMVDGRLYLANIALAEWFVAQYYSEVIDYFYDPLNVYSYEILAEAMRIAFQQETITTADLRLTDAELLAKLNANSDAREKIQLLASPHLEENEVDFTYHHKKKMRLINPSVLVDGRLIPADELSEKVREMNDWASERSKHGIYIKATKKSKQ
Complex: DCP_A_3(4RXR) / Model_8(4RXR/A) = [3.5] Download1203.05-0.31MKMTDPLYGTFEIEPVLAELIQSPLVSRLAHVHQGGSSYLVNPLWDLSRLDHSIGVMLFIRKFGGSLEEQIAGLLHDVSHTAFSHVVDYALDFEEEDYHEQIFEDFVKTSTIPAILEKYGYSFEGIFNDISKWKILEQEAPELCADRIDYTLQDLYRHGKISLAEVKEFLQALVMVDGRLYLANIALAEWFVAQYYSEVIDYFYDPLNVYSYEILAEAMRIAFQQETITTADLRLTDAELLAKLNANSDAREKIQLLASPHLEENEVDFTYHHKKKMRLINPSVLVDGRLIPADELSEKVREMNDWASERSKHGIYIKATKKSKQ
Complex: DUT_B_9(4RXQ) / Model_29(4RXQ/B) = [3.6] Download1391.674.83MKMTDPLYGTFEIEPVLAELIQSPLVSRLAHVHQGGSSYLVNPLWDLSRLDHSIGVMLFIRKFGGSLEEQIAGLLHDVSHTAFSHVVDYALDFEEEDYHEQIFEDFVKTSTIPAILEKYGYSFEGIFNDISKWKILEQEAPELCADRIDYTLQDLYRHGKISLAEVKEFLQALVMVDGRLYLANIALAEWFVAQYYSEVIDYFYDPLNVYSYEILAEAMRIAFQQETITTADLRLTDAELLAKLNANSDAREKIQLLASPHLEENEVDFTYHHKKKMRLINPSVLVDGRLIPADELSEKVREMNDWASERSKHGIYIKATKKSKQ
Complex: DUT_A_4(4RXQ) / Model_7(4RXQ/A) = [3.7] Download1239.054.83MKMTDPLYGTFEIEPVLAELIQSPLVSRLAHVHQGGSSYLVNPLWDLSRLDHSIGVMLFIRKFGGSLEEQIAGLLHDVSHTAFSHVVDYALDFEEEDYHEQIFEDFVKTSTIPAILEKYGYSFEGIFNDISKWKILEQEAPELCADRIDYTLQDLYRHGKISLAEVKEFLQALVMVDGRLYLANIALAEWFVAQYYSEVIDYFYDPLNVYSYEILAEAMRIAFQQETITTADLRLTDAELLAKLNANSDAREKIQLLASPHLEENEVDFTYHHKKKMRLINPSVLVDGRLIPADELSEKVREMNDWASERSKHGIYIKATKKSKQ
Complex: DCP_B_9(4RXR) / Model_28(4RXR/B) = [3.9] Download982.70-0.59MKMTDPLYGTFEIEPVLAELIQSPLVSRLAHVHQGGSSYLVNPLWDLSRLDHSIGVMLFIRKFGGSLEEQIAGLLHDVSHTAFSHVVDYALDFEEEDYHEQIFEDFVKTSTIPAILEKYGYSFEGIFNDISKWKILEQEAPELCADRIDYTLQDLYRHGKISLAEVKEFLQALVMVDGRLYLANIALAEWFVAQYYSEVIDYFYDPLNVYSYEILAEAMRIAFQQETITTADLRLTDAELLAKLNANSDAREKIQLLASPHLEENEVDFTYHHKKKMRLINPSVLVDGRLIPADELSEKVREMNDWASERSKHGIYIKATKKSKQ
Consensus
[pKd Mean = 3.62]
-1147
(s=172)
1
(s=2)
MKMTDPLYGTFEIEPVLAELIQSPLVSRLAHVHQGGSSYLVNPLWDLSRLDHSIGVMLFIRKFGGSLEEQIAGLLHDVSHTAFSHVVDYALDFEEEDYHEQIFEDFVKTSTIPAILEKYGYSFEGIFNDISKWKILEQEAPELCADRIDYTLQDLYRHGKISLAEVKEFLQALVMVDGRLYLANIALAEWFVAQYYSEVIDYFYDPLNVYSYEILAEAMRIAFQQETITTADLRLTDAELLAKLNANSDAREKIQLLASPHLEENEVDFTYHHKKKMRLINPSVLVDGRLIPADELSEKVREMNDWASERSKHGIYIKATKKSKQ