Study : PA2617 (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: PHE_B_4(2Z3O) / Model_12(2Z3O/B) = [3.2] Download6100.0230.40MLTWLSRTDFDFPPLDKALQEPNGLLAAGGDLNPQRLVAAYRHGCFPWYQDGQPILWWSPDPRTVLFPDELHVSRSLAKCLRQQRFEVTFNRDFRAVIQACAAPRNYADGTWITTPMQLAYQELHLRGIAHSVEVWQERQLVGGLYGLAMGRLFFGESMFSRADNASKVGFVTLVRHLRDAGFVLIDCQMPTRHLHSLGARAISRGEFADYLQRYRDQPPTGDLDF
Complex: 3D1_A_3(2Z3M) / Model_4(2Z3M/A) = [3.3] Download1047.3734.78MLTWLSRTDFDFPPLDKALQEPNGLLAAGGDLNPQRLVAAYRHGCFPWYQDGQPILWWSPDPRTVLFPDELHVSRSLAKCLRQQRFEVTFNRDFRAVIQACAAPRNYADGTWITTPMQLAYQELHLRGIAHSVEVWQERQLVGGLYGLAMGRLFFGESMFSRADNASKVGFVTLVRHLRDAGFVLIDCQMPTRHLHSLGARAISRGEFADYLQRYRDQPPTGDLDF
Complex: PHE_A_3(2Z3O) / Model_5(2Z3O/A) = [3.4] Download6119.8530.95MLTWLSRTDFDFPPLDKALQEPNGLLAAGGDLNPQRLVAAYRHGCFPWYQDGQPILWWSPDPRTVLFPDELHVSRSLAKCLRQQRFEVTFNRDFRAVIQACAAPRNYADGTWITTPMQLAYQELHLRGIAHSVEVWQERQLVGGLYGLAMGRLFFGESMFSRADNASKVGFVTLVRHLRDAGFVLIDCQMPTRHLHSLGARAISRGEFADYLQRYRDQPPTGDLDF
Complex: LEU_B_4(2Z3P) / Model_11(2Z3P/B) = [3.5] Download8353.9323.97MLTWLSRTDFDFPPLDKALQEPNGLLAAGGDLNPQRLVAAYRHGCFPWYQDGQPILWWSPDPRTVLFPDELHVSRSLAKCLRQQRFEVTFNRDFRAVIQACAAPRNYADGTWITTPMQLAYQELHLRGIAHSVEVWQERQLVGGLYGLAMGRLFFGESMFSRADNASKVGFVTLVRHLRDAGFVLIDCQMPTRHLHSLGARAISRGEFADYLQRYRDQPPTGDLDF
Complex: XYA_A_3(2Z3K) / Model_3(2Z3K/A) = [3.7] Download980.9130.85MLTWLSRTDFDFPPLDKALQEPNGLLAAGGDLNPQRLVAAYRHGCFPWYQDGQPILWWSPDPRTVLFPDELHVSRSLAKCLRQQRFEVTFNRDFRAVIQACAAPRNYADGTWITTPMQLAYQELHLRGIAHSVEVWQERQLVGGLYGLAMGRLFFGESMFSRADNASKVGFVTLVRHLRDAGFVLIDCQMPTRHLHSLGARAISRGEFADYLQRYRDQPPTGDLDF
Consensus
[pKd Mean = 3.42]
-4520
(s=2977)
30
(s=3)
MLTWLSRTDFDFPPLDKALQEPNGLLAAGGDLNPQRLVAAYRHGCFPWYQDGQPILWWSPDPRTVLFPDELHVSRSLAKCLRQQRFEVTFNRDFRAVIQACAAPRNYADGTWITTPMQLAYQELHLRGIAHSVEVWQERQLVGGLYGLAMGRLFFGESMFSRADNASKVGFVTLVRHLRDAGFVLIDCQMPTRHLHSLGARAISRGEFADYLQRYRDQPPTGDLDF