Study : bsu14090 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: EDO_A_11(4Q6J) / Model_47(4Q6J/A) = [3.4] Download459.7529.60MLDPLDILTNIDDVLPYYQAIFSAEEQKVVGYEVLGRILADSEIQSLGPFFLDAGIPEEYKLEVDNRIIRQALDRFLEADSDLLIFMNQDANLLMLDHGESFLELLKEYEAKGIELHRFVLEITEHNFEGDIEQLYHMLAYYRTYGIKIAVDNIGKESSNLDRIALLSPDLLKIDLQALKVSQPSPSYEHVLYSISLLARKIGAALLYEDIEANFQLQYAWRNGGRYFQGYYLVSPSETFLERDVLKQRLKTEFHQFITHEKKKLETVYEHSEQFYKRVHQAVTSLRKNNLSSDDDFIKKLAEELTDCSFRIYMCDEEGDQLTGNVFKQDGEWIYQPEYAEKNWSWRPYFLENIMRMRNLRKGFFSDLYSDLETGEMIRTFSYPMDDQMYLFIDLPYSYLYEQDGLI
Complex: 5GP_B_7(2W27) / Model_21(2W27/B) = [5.1] Download1416.2322.23MLDPLDILTNIDDVLPYYQAIFSAEEQKVVGYEVLGRILADSEIQSLGPFFLDAGIPEEYKLEVDNRIIRQALDRFLEADSDLLIFMNQDANLLMLDHGESFLELLKEYEAKGIELHRFVLEITEHNFEGDIEQLYHMLAYYRTYGIKIAVDNIGKESSNLDRIALLSPDLLKIDLQALKVSQPSPSYEHVLYSISLLARKIGAALLYEDIEANFQLQYAWRNGGRYFQGYYLVSPSETFLERDVLKQRLKTEFHQFITHEKKKLETVYEHSEQFYKRVHQAVTSLRKNNLSSDDDFIKKLAEELTDCSFRIYMCDEEGDQLTGNVFKQDGEWIYQPEYAEKNWSWRPYFLENIMRMRNLRKGFFSDLYSDLETGEMIRTFSYPMDDQMYLFIDLPYSYLYEQDGLI
Complex: 5GP_A_4(2W27) / Model_1(2W27/A) = [5.3] Download1300.1622.23MLDPLDILTNIDDVLPYYQAIFSAEEQKVVGYEVLGRILADSEIQSLGPFFLDAGIPEEYKLEVDNRIIRQALDRFLEADSDLLIFMNQDANLLMLDHGESFLELLKEYEAKGIELHRFVLEITEHNFEGDIEQLYHMLAYYRTYGIKIAVDNIGKESSNLDRIALLSPDLLKIDLQALKVSQPSPSYEHVLYSISLLARKIGAALLYEDIEANFQLQYAWRNGGRYFQGYYLVSPSETFLERDVLKQRLKTEFHQFITHEKKKLETVYEHSEQFYKRVHQAVTSLRKNNLSSDDDFIKKLAEELTDCSFRIYMCDEEGDQLTGNVFKQDGEWIYQPEYAEKNWSWRPYFLENIMRMRNLRKGFFSDLYSDLETGEMIRTFSYPMDDQMYLFIDLPYSYLYEQDGLI
Consensus
[pKd Mean = 4.60]
-1058
(s=426)
24
(s=3)
MLDPLDILTNIDDVLPYYQAIFSAEEQKVVGYEVLGRILADSEIQSLGPFFLDAGIPEEYKLEVDNRIIRQALDRFLEADSDLLIFMNQDANLLMLDHGESFLELLKEYEAKGIELHRFVLEITEHNFEGDIEQLYHMLAYYRTYGIKIAVDNIGKESSNLDRIALLSPDLLKIDLQALKVSQPSPSYEHVLYSISLLARKIGAALLYEDIEANFQLQYAWRNGGRYFQGYYLVSPSETFLERDVLKQRLKTEFHQFITHEKKKLETVYEHSEQFYKRVHQAVTSLRKNNLSSDDDFIKKLAEELTDCSFRIYMCDEEGDQLTGNVFKQDGEWIYQPEYAEKNWSWRPYFLENIMRMRNLRKGFFSDLYSDLETGEMIRTFSYPMDDQMYLFIDLPYSYLYEQDGLI