Study : jhp_0188 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: UDT_B_5(2QNX) / Model_44(2QNX/B) = [3.2] Download972.8419.90MEFYASLKSIAMHVPSERVKNAEFQQFLDTSDEWIEKRTGIKERRFANDEEKSSDLGVIAAKQAIERAHLTPQDIDLVVVATLSPDFLAMPSTACVLSAKLGIENKPAFDISAACTGFIYLLSVAKAYVESGMYENVLIVGAEKTSSVLDFKDRGTCILFGDGAGACVIGRTKRLKESVLDVQISANGNFSNYLYTPRTLKPTPFNAKEEALEPFLRMKGNEVFKLAVKTLLKDVETILEKNALKPEDVRLFIPHQANFRIIQAVREHLDFKDEQVVLTVHKYGNTSAASIPMAMCEAYEEGRLKKGDLMLLDAFGGGLTWGSALVYFGGI
Complex: COA_C_3(1MZJ) / Model_77(1MZJ/A) = [3.3] Download1349.4818.47MEFYASLKSIAMHVPSERVKNAEFQQFLDTSDEWIEKRTGIKERRFANDEEKSSDLGVIAAKQAIERAHLTPQDIDLVVVATLSPDFLAMPSTACVLSAKLGIENKPAFDISAACTGFIYLLSVAKAYVESGMYENVLIVGAEKTSSVLDFKDRGTCILFGDGAGACVIGRTKRLKESVLDVQISANGNFSNYLYTPRTLKPTPFNAKEEALEPFLRMKGNEVFKLAVKTLLKDVETILEKNALKPEDVRLFIPHQANFRIIQAVREHLDFKDEQVVLTVHKYGNTSAASIPMAMCEAYEEGRLKKGDLMLLDAFGGGLTWGSALVYFGGI
Complex: VZZ_A_3(2QO1) / Model_41(2QO1/A) = [3.5] Download1277.6420.04MEFYASLKSIAMHVPSERVKNAEFQQFLDTSDEWIEKRTGIKERRFANDEEKSSDLGVIAAKQAIERAHLTPQDIDLVVVATLSPDFLAMPSTACVLSAKLGIENKPAFDISAACTGFIYLLSVAKAYVESGMYENVLIVGAEKTSSVLDFKDRGTCILFGDGAGACVIGRTKRLKESVLDVQISANGNFSNYLYTPRTLKPTPFNAKEEALEPFLRMKGNEVFKLAVKTLLKDVETILEKNALKPEDVRLFIPHQANFRIIQAVREHLDFKDEQVVLTVHKYGNTSAASIPMAMCEAYEEGRLKKGDLMLLDAFGGGLTWGSALVYFGGI
Complex: VZZ_B_5(2QO1) / Model_40(2QO1/B) = [3.7] Download1005.5114.88MEFYASLKSIAMHVPSERVKNAEFQQFLDTSDEWIEKRTGIKERRFANDEEKSSDLGVIAAKQAIERAHLTPQDIDLVVVATLSPDFLAMPSTACVLSAKLGIENKPAFDISAACTGFIYLLSVAKAYVESGMYENVLIVGAEKTSSVLDFKDRGTCILFGDGAGACVIGRTKRLKESVLDVQISANGNFSNYLYTPRTLKPTPFNAKEEALEPFLRMKGNEVFKLAVKTLLKDVETILEKNALKPEDVRLFIPHQANFRIIQAVREHLDFKDEQVVLTVHKYGNTSAASIPMAMCEAYEEGRLKKGDLMLLDAFGGGLTWGSALVYFGGI
Complex: COA_A_3(1EBL) / Model_15(1EBL/A) = [3.9] Download1388.8918.09MEFYASLKSIAMHVPSERVKNAEFQQFLDTSDEWIEKRTGIKERRFANDEEKSSDLGVIAAKQAIERAHLTPQDIDLVVVATLSPDFLAMPSTACVLSAKLGIENKPAFDISAACTGFIYLLSVAKAYVESGMYENVLIVGAEKTSSVLDFKDRGTCILFGDGAGACVIGRTKRLKESVLDVQISANGNFSNYLYTPRTLKPTPFNAKEEALEPFLRMKGNEVFKLAVKTLLKDVETILEKNALKPEDVRLFIPHQANFRIIQAVREHLDFKDEQVVLTVHKYGNTSAASIPMAMCEAYEEGRLKKGDLMLLDAFGGGLTWGSALVYFGGI
Consensus
[pKd Mean = 3.52]
-1198
(s=175)
18
(s=1)
MEFYASLKSIAMHVPSERVKNAEFQQFLDTSDEWIEKRTGIKERRFANDEEKSSDLGVIAAKQAIERAHLTPQDIDLVVVATLSPDFLAMPSTACVLSAKLGIENKPAFDISAACTGFIYLLSVAKAYVESGMYENVLIVGAEKTSSVLDFKDRGTCILFGDGAGACVIGRTKRLKESVLDVQISANGNFSNYLYTPRTLKPTPFNAKEEALEPFLRMKGNEVFKLAVKTLLKDVETILEKNALKPEDVRLFIPHQANFRIIQAVREHLDFKDEQVVLTVHKYGNTSAASIPMAMCEAYEEGRLKKGDLMLLDAFGGGLTWGSALVYFGGI