Study : jhp_0040 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: ATP_A_4(2Z1U) / Model_42(2Z1U/A) = [3.5] Download1797.268.11MDSVTLACGNGGKETNALIERVFMPYLKEWIVAFDEDAPKFEASGEYCVSTDSFVITPLIFNGGDIGKLCVCGSANDVSVQGGEPLYLNMGFILEEGLEIPLLKQILQSIQKELFKANLKLLSLDTKVVPKGSVDKLFINTTCIGKIIKPGISSRHLQQGQAIILSDTIANHGASLFATRHEIKLKTNLQSDCQLLYPLLKPLFLSDLKIDALRDATRGGLASVLNEWANSSRVKIVIEEEKIPLKEETKGICEILGLEPYALANEGVFVLALNQKDAPKALEILKSNEKAKNACVIGGVFENPYPSVVLKNAWGFERILEMPEGELLPRIC
Complex: ATP_A_4(2Z1U) / Model_3(2Z1U/A) = [3.5] Download1604.008.11MDSVTLACGNGGKETNALIERVFMPYLKEWIVAFDEDAPKFEASGEYCVSTDSFVITPLIFNGGDIGKLCVCGSANDVSVQGGEPLYLNMGFILEEGLEIPLLKQILQSIQKELFKANLKLLSLDTKVVPKGSVDKLFINTTCIGKIIKPGISSRHLQQGQAIILSDTIANHGASLFATRHEIKLKTNLQSDCQLLYPLLKPLFLSDLKIDALRDATRGGLASVLNEWANSSRVKIVIEEEKIPLKEETKGICEILGLEPYALANEGVFVLALNQKDAPKALEILKSNEKAKNACVIGGVFENPYPSVVLKNAWGFERILEMPEGELLPRIC
Complex: ATP_A_4(2Z1U) / Model_23(2Z1U/A) = [3.5] Download1372.158.11MDSVTLACGNGGKETNALIERVFMPYLKEWIVAFDEDAPKFEASGEYCVSTDSFVITPLIFNGGDIGKLCVCGSANDVSVQGGEPLYLNMGFILEEGLEIPLLKQILQSIQKELFKANLKLLSLDTKVVPKGSVDKLFINTTCIGKIIKPGISSRHLQQGQAIILSDTIANHGASLFATRHEIKLKTNLQSDCQLLYPLLKPLFLSDLKIDALRDATRGGLASVLNEWANSSRVKIVIEEEKIPLKEETKGICEILGLEPYALANEGVFVLALNQKDAPKALEILKSNEKAKNACVIGGVFENPYPSVVLKNAWGFERILEMPEGELLPRIC
Consensus
[pKd Mean = 3.50]
-1591
(s=173)
8
(s=0)
MDSVTLACGNGGKETNALIERVFMPYLKEWIVAFDEDAPKFEASGEYCVSTDSFVITPLIFNGGDIGKLCVCGSANDVSVQGGEPLYLNMGFILEEGLEIPLLKQILQSIQKELFKANLKLLSLDTKVVPKGSVDKLFINTTCIGKIIKPGISSRHLQQGQAIILSDTIANHGASLFATRHEIKLKTNLQSDCQLLYPLLKPLFLSDLKIDALRDATRGGLASVLNEWANSSRVKIVIEEEKIPLKEETKGICEILGLEPYALANEGVFVLALNQKDAPKALEILKSNEKAKNACVIGGVFENPYPSVVLKNAWGFERILEMPEGELLPRIC