Study : bsu18090 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: EVO_A_3(5CPH) / Model_144(5CPH/A) = [3.7] Download937.9613.33MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV
Complex: NOV_A_4(4URN) / Model_70(4URN/A) = [4.7] Download948.3014.81MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV
Complex: NOV_C_6(4URN) / Model_68(4URN/C) = [4.8] Download902.3914.81MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV
Complex: 4S4_A_2(4ZVI) / Model_59(4ZVI/A) = [4.9] Download971.5710.32MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV
Complex: NOV_B_5(4URN) / Model_69(4URN/B) = [4.9] Download1137.7015.32MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV
Consensus
[pKd Mean = 4.60]
-979
(s=82)
13
(s=1)
MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV