Study : SA0145 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_B_5(2VED) / Model_22(2VED/B) = [5.1] Download1554.7413.65MSKKENTTTTLFVYEKPKSTISEKFRGIRSNIMFSKANGEVKRLLVTSEKPGAGKSTVVSNVAITYAQAGYKTLVIDGDMCKPTQNYIFNEQNNNGLSSLIIGRTTMSEAITSTEIENLDLLTAGPVPPNPSELIGSERFKELVDLFNKRYDIIIVDTPPVNTVTDAQLYARAIKDSLLVIDSEKNDKNEVKKAKALMEKAGSNILGVILNKTKVDKSSSYYHYYGDE
Complex: ADP_A_5(3BFV) / Model_1(3BFV/A) = [5.8] Download1384.5115.22MSKKENTTTTLFVYEKPKSTISEKFRGIRSNIMFSKANGEVKRLLVTSEKPGAGKSTVVSNVAITYAQAGYKTLVIDGDMCKPTQNYIFNEQNNNGLSSLIIGRTTMSEAITSTEIENLDLLTAGPVPPNPSELIGSERFKELVDLFNKRYDIIIVDTPPVNTVTDAQLYARAIKDSLLVIDSEKNDKNEVKKAKALMEKAGSNILGVILNKTKVDKSSSYYHYYGDE
Complex: ADP_A_3(2VED) / Model_2(2VED/A) = [6.0] Download1435.9318.17MSKKENTTTTLFVYEKPKSTISEKFRGIRSNIMFSKANGEVKRLLVTSEKPGAGKSTVVSNVAITYAQAGYKTLVIDGDMCKPTQNYIFNEQNNNGLSSLIIGRTTMSEAITSTEIENLDLLTAGPVPPNPSELIGSERFKELVDLFNKRYDIIIVDTPPVNTVTDAQLYARAIKDSLLVIDSEKNDKNEVKKAKALMEKAGSNILGVILNKTKVDKSSSYYHYYGDE
Complex: ADP_B_6(3BFV) / Model_21(3BFV/B) = [6.3] Download1395.3115.22MSKKENTTTTLFVYEKPKSTISEKFRGIRSNIMFSKANGEVKRLLVTSEKPGAGKSTVVSNVAITYAQAGYKTLVIDGDMCKPTQNYIFNEQNNNGLSSLIIGRTTMSEAITSTEIENLDLLTAGPVPPNPSELIGSERFKELVDLFNKRYDIIIVDTPPVNTVTDAQLYARAIKDSLLVIDSEKNDKNEVKKAKALMEKAGSNILGVILNKTKVDKSSSYYHYYGDE
Consensus
[pKd Mean = 5.80]
-1442
(s=67)
15
(s=1)
MSKKENTTTTLFVYEKPKSTISEKFRGIRSNIMFSKANGEVKRLLVTSEKPGAGKSTVVSNVAITYAQAGYKTLVIDGDMCKPTQNYIFNEQNNNGLSSLIIGRTTMSEAITSTEIENLDLLTAGPVPPNPSELIGSERFKELVDLFNKRYDIIIVDTPPVNTVTDAQLYARAIKDSLLVIDSEKNDKNEVKKAKALMEKAGSNILGVILNKTKVDKSSSYYHYYGDE