Study : Rv0321 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: TTP_C_10(4XJC) / Model_116(4XJC/A) = [3.2] Download848.2011.33MLLSDRDLRAEISSGRLGIDPFDDTLVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDELTSLVQPVDGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDPGFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPSRSYQNFIRST
Complex: TTP_C_10(4XJC) / Model_16(4XJC/A) = [3.2] Download1121.1011.33MLLSDRDLRAEISSGRLGIDPFDDTLVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDELTSLVQPVDGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDPGFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPSRSYQNFIRST
Complex: DUT_B_14(1XS1) / Model_115(1XS1/A) = [3.2] Download1011.3118.08MLLSDRDLRAEISSGRLGIDPFDDTLVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDELTSLVQPVDGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDPGFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPSRSYQNFIRST
Complex: DUT_F_18(1XS1) / Model_39(1XS1/E) = [3.2] Download977.5718.08MLLSDRDLRAEISSGRLGIDPFDDTLVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDELTSLVQPVDGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDPGFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPSRSYQNFIRST
Complex: DUT_B_14(1XS1) / Model_104(1XS1/A) = [3.2] Download731.9420.42MLLSDRDLRAEISSGRLGIDPFDDTLVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDELTSLVQPVDGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDPGFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPSRSYQNFIRST
Consensus
[pKd Mean = 3.20]
-938
(s=134)
15
(s=3)
MLLSDRDLRAEISSGRLGIDPFDDTLVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDELTSLVQPVDGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDPGFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPSRSYQNFIRST