Study : bsu05740 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: PAE_A_15(1EW8) / Model_60(1EW8/A) = [3.2] Download507.41-15.00MKKFPKKLLPIAVLSSIAFSSLASGSVPEASAQEKKKGNQDEIKNVIVLIGDGMGVSYTSAYRYLKDNKKTKVVEPTAFDQYLVGQQTTYPDDPEQNVTDSAAAATAMSAGIKTYNNAIAVDNDGSEAKTVLEAAKEKGKATGLVATSEITHATPASFGSHDHSRKNMNSIADDYFDEMVNGKHKIDVLLGGGKSNFDRKDRNLIKEFKKAGYSYVDDRKDMLKNKDSQVLGLFADGGLPKKIDRTKDIPSLKDMTNTAIKKLNKDKDGFFLMVEGSQIDWAGHDNDIVGAMSEMEDFEQAYKAAIDFAKKDKHTLVVATADHSTGGYSIGADGIYNWFSEPIKAAKRTPDFMAEKIADGADVEKTLKTYIDQKKLALTKAEIQSVEEAAKSKEVLDIDNAIENIFNKRSHTGWTTGGHTGEDVPVYAYGPSSETFAGQIDNTEIAKNVFKALQYNIKINDK
Complex: PAE_B_16(1EW8) / Model_59(1EW8/B) = [3.8] Download563.48-13.92MKKFPKKLLPIAVLSSIAFSSLASGSVPEASAQEKKKGNQDEIKNVIVLIGDGMGVSYTSAYRYLKDNKKTKVVEPTAFDQYLVGQQTTYPDDPEQNVTDSAAAATAMSAGIKTYNNAIAVDNDGSEAKTVLEAAKEKGKATGLVATSEITHATPASFGSHDHSRKNMNSIADDYFDEMVNGKHKIDVLLGGGKSNFDRKDRNLIKEFKKAGYSYVDDRKDMLKNKDSQVLGLFADGGLPKKIDRTKDIPSLKDMTNTAIKKLNKDKDGFFLMVEGSQIDWAGHDNDIVGAMSEMEDFEQAYKAAIDFAKKDKHTLVVATADHSTGGYSIGADGIYNWFSEPIKAAKRTPDFMAEKIADGADVEKTLKTYIDQKKLALTKAEIQSVEEAAKSKEVLDIDNAIENIFNKRSHTGWTTGGHTGEDVPVYAYGPSSETFAGQIDNTEIAKNVFKALQYNIKINDK
Consensus
[pKd Mean = 3.50]
-535
(s=28)
-14
(s=0)
MKKFPKKLLPIAVLSSIAFSSLASGSVPEASAQEKKKGNQDEIKNVIVLIGDGMGVSYTSAYRYLKDNKKTKVVEPTAFDQYLVGQQTTYPDDPEQNVTDSAAAATAMSAGIKTYNNAIAVDNDGSEAKTVLEAAKEKGKATGLVATSEITHATPASFGSHDHSRKNMNSIADDYFDEMVNGKHKIDVLLGGGKSNFDRKDRNLIKEFKKAGYSYVDDRKDMLKNKDSQVLGLFADGGLPKKIDRTKDIPSLKDMTNTAIKKLNKDKDGFFLMVEGSQIDWAGHDNDIVGAMSEMEDFEQAYKAAIDFAKKDKHTLVVATADHSTGGYSIGADGIYNWFSEPIKAAKRTPDFMAEKIADGADVEKTLKTYIDQKKLALTKAEIQSVEEAAKSKEVLDIDNAIENIFNKRSHTGWTTGGHTGEDVPVYAYGPSSETFAGQIDNTEIAKNVFKALQYNIKINDK