Study : bsu12250 (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: ATP_A_6(4YMV) / Model_21(4YMV/A) = [4.3] Download1402.601.28MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEVREWNVNELRRTAALAFQSAPVLDGTVRDNLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSARDLSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR
Complex: ATP_A_5(1B0U) / Model_103(1B0U/A) = [4.5] Download1088.3713.07MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEVREWNVNELRRTAALAFQSAPVLDGTVRDNLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSARDLSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR
Complex: ATP_J_5(4YMV) / Model_4(4YMV/J) = [4.7] Download900.194.05MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEVREWNVNELRRTAALAFQSAPVLDGTVRDNLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSARDLSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR
Complex: AGS_B_6(3C4J) / Model_29(3C4J/B) = [5.2] Download1684.9415.28MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEVREWNVNELRRTAALAFQSAPVLDGTVRDNLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSARDLSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR
Complex: ADP_A_2(5DGX) / Model_89(5DGX/A) = [5.5] Download996.3111.62MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEVREWNVNELRRTAALAFQSAPVLDGTVRDNLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSARDLSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR
Consensus
[pKd Mean = 4.84]
-1214
(s=289)
9
(s=5)
MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEVREWNVNELRRTAALAFQSAPVLDGTVRDNLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSARDLSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR