Study : jhp_0783 (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: TZE_A_5(1C3Q) / Model_21(1C3Q/C) = [3.1] Download755.5616.00MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLNERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGISCESKGLDSKHSATPIEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL
Complex: TZE_B_7(1C3Q) / Model_22(1C3Q/B) = [3.1] Download796.6416.71MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLNERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGISCESKGLDSKHSATPIEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL
Consensus
[pKd Mean = 3.10]
-776
(s=20)
16
(s=0)
MLKELRQKRPLVHNITNYVVAQFVANGLLALGVSPLMSDAIAEMPDLAKISDALAINIGTLNERTILCAKEAIKRYKALNKPIVLDPVGCSASALRYDTSLELLESKGISTLRGNAAELGSLVGISCESKGLDSKHSATPIEIVKRAAQKYSVIAVMTGKTDYVSDGKKVLSITGGSEYLAAITGAGCLHAAACASFLSLKKDPLDSMVQLCAFYKQAAFSAQKKALENNGSNGSFLFYFLDALSLPIELENSLIKEEL