Study : PA5436 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: L22_B_5(2W70) / Model_58(2W70/B) = [3.1] Download597.7019.00MIKKILIANRGEIAVRIVRACAEMGIRSVAVYSEADRHALHVKRADEAHSIGADPLAGYLNPRALVNLAVESGCDALHPGYGFLSENAELAEICAERGIKFIGPSAQVIRRMGDKTEARRSMIAAGVPCTPGTEGNVADLAEALREAERIGYPVMLKATSGGGGRGIRRCNSREELEQAFPRVISEATKAFGSAEVFLEKCIVNPKHIEAQILADSFGNTVHLFERDCSIQRRNQKLIEIAPSPQLTPEQRAYIGDLAVRAAKAVGYENAGTVEFLLADGEVYFMEMNTRVQVEHTITEEITGIDVVREQIRIASGLELSVKQDDIVHRGYALQFRINAEDPKNNFLPSFGKITRYYAPGGPGVRTDTAIYTGYTIPPYYDSMCLKLIVWALTWEEALDRGLRALDDMRVQGVKTTAPYYQEILRNPEFRSGQFNTSFVESHPELTQYSIKRNPSHLAIAIATAIAAHAGL
Complex: OA1_B_5(2W6M) / Model_69(2W6M/B) = [3.3] Download887.0914.55MIKKILIANRGEIAVRIVRACAEMGIRSVAVYSEADRHALHVKRADEAHSIGADPLAGYLNPRALVNLAVESGCDALHPGYGFLSENAELAEICAERGIKFIGPSAQVIRRMGDKTEARRSMIAAGVPCTPGTEGNVADLAEALREAERIGYPVMLKATSGGGGRGIRRCNSREELEQAFPRVISEATKAFGSAEVFLEKCIVNPKHIEAQILADSFGNTVHLFERDCSIQRRNQKLIEIAPSPQLTPEQRAYIGDLAVRAAKAVGYENAGTVEFLLADGEVYFMEMNTRVQVEHTITEEITGIDVVREQIRIASGLELSVKQDDIVHRGYALQFRINAEDPKNNFLPSFGKITRYYAPGGPGVRTDTAIYTGYTIPPYYDSMCLKLIVWALTWEEALDRGLRALDDMRVQGVKTTAPYYQEILRNPEFRSGQFNTSFVESHPELTQYSIKRNPSHLAIAIATAIAAHAGL
Complex: L22_A_3(2W70) / Model_59(2W70/A) = [3.4] Download577.599.52MIKKILIANRGEIAVRIVRACAEMGIRSVAVYSEADRHALHVKRADEAHSIGADPLAGYLNPRALVNLAVESGCDALHPGYGFLSENAELAEICAERGIKFIGPSAQVIRRMGDKTEARRSMIAAGVPCTPGTEGNVADLAEALREAERIGYPVMLKATSGGGGRGIRRCNSREELEQAFPRVISEATKAFGSAEVFLEKCIVNPKHIEAQILADSFGNTVHLFERDCSIQRRNQKLIEIAPSPQLTPEQRAYIGDLAVRAAKAVGYENAGTVEFLLADGEVYFMEMNTRVQVEHTITEEITGIDVVREQIRIASGLELSVKQDDIVHRGYALQFRINAEDPKNNFLPSFGKITRYYAPGGPGVRTDTAIYTGYTIPPYYDSMCLKLIVWALTWEEALDRGLRALDDMRVQGVKTTAPYYQEILRNPEFRSGQFNTSFVESHPELTQYSIKRNPSHLAIAIATAIAAHAGL
Complex: OA5_A_3(2W6Q) / Model_63(2W6Q/A) = [3.5] Download926.3311.13MIKKILIANRGEIAVRIVRACAEMGIRSVAVYSEADRHALHVKRADEAHSIGADPLAGYLNPRALVNLAVESGCDALHPGYGFLSENAELAEICAERGIKFIGPSAQVIRRMGDKTEARRSMIAAGVPCTPGTEGNVADLAEALREAERIGYPVMLKATSGGGGRGIRRCNSREELEQAFPRVISEATKAFGSAEVFLEKCIVNPKHIEAQILADSFGNTVHLFERDCSIQRRNQKLIEIAPSPQLTPEQRAYIGDLAVRAAKAVGYENAGTVEFLLADGEVYFMEMNTRVQVEHTITEEITGIDVVREQIRIASGLELSVKQDDIVHRGYALQFRINAEDPKNNFLPSFGKITRYYAPGGPGVRTDTAIYTGYTIPPYYDSMCLKLIVWALTWEEALDRGLRALDDMRVQGVKTTAPYYQEILRNPEFRSGQFNTSFVESHPELTQYSIKRNPSHLAIAIATAIAAHAGL
Complex: OA1_A_3(2W6M) / Model_70(2W6M/A) = [3.6] Download961.9814.86MIKKILIANRGEIAVRIVRACAEMGIRSVAVYSEADRHALHVKRADEAHSIGADPLAGYLNPRALVNLAVESGCDALHPGYGFLSENAELAEICAERGIKFIGPSAQVIRRMGDKTEARRSMIAAGVPCTPGTEGNVADLAEALREAERIGYPVMLKATSGGGGRGIRRCNSREELEQAFPRVISEATKAFGSAEVFLEKCIVNPKHIEAQILADSFGNTVHLFERDCSIQRRNQKLIEIAPSPQLTPEQRAYIGDLAVRAAKAVGYENAGTVEFLLADGEVYFMEMNTRVQVEHTITEEITGIDVVREQIRIASGLELSVKQDDIVHRGYALQFRINAEDPKNNFLPSFGKITRYYAPGGPGVRTDTAIYTGYTIPPYYDSMCLKLIVWALTWEEALDRGLRALDDMRVQGVKTTAPYYQEILRNPEFRSGQFNTSFVESHPELTQYSIKRNPSHLAIAIATAIAAHAGL
Consensus
[pKd Mean = 3.38]
-790
(s=167)
13
(s=3)
MIKKILIANRGEIAVRIVRACAEMGIRSVAVYSEADRHALHVKRADEAHSIGADPLAGYLNPRALVNLAVESGCDALHPGYGFLSENAELAEICAERGIKFIGPSAQVIRRMGDKTEARRSMIAAGVPCTPGTEGNVADLAEALREAERIGYPVMLKATSGGGGRGIRRCNSREELEQAFPRVISEATKAFGSAEVFLEKCIVNPKHIEAQILADSFGNTVHLFERDCSIQRRNQKLIEIAPSPQLTPEQRAYIGDLAVRAAKAVGYENAGTVEFLLADGEVYFMEMNTRVQVEHTITEEITGIDVVREQIRIASGLELSVKQDDIVHRGYALQFRINAEDPKNNFLPSFGKITRYYAPGGPGVRTDTAIYTGYTIPPYYDSMCLKLIVWALTWEEALDRGLRALDDMRVQGVKTTAPYYQEILRNPEFRSGQFNTSFVESHPELTQYSIKRNPSHLAIAIATAIAAHAGL