Study : jhp_0304 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: FMT_B_2(1Z8F) / Model_6(1Z8F/A) = [3.4] Download316.376.18MNNDFNLLILSGPSGAGKSTLTKYLQEKIPKTHFSLSTTTRKPREGEVDGLHYNFVSEEEFKQGIEKGQFLEWAIVHNHYYGTSKIPVEKALKEGKIVIFDIDVQGHEILKKHYPNACSVFISTKNQEILKERLLLRGTDSKETIEKRLINAYKEMQCLESFDYLIINEDLEKSKEIILSIAKTLVHRLKAFNFEKICKAWKNESL
Complex: FMT_A_3(1S4Q) / Model_1(1S4Q/A) = [3.5] Download311.948.67MNNDFNLLILSGPSGAGKSTLTKYLQEKIPKTHFSLSTTTRKPREGEVDGLHYNFVSEEEFKQGIEKGQFLEWAIVHNHYYGTSKIPVEKALKEGKIVIFDIDVQGHEILKKHYPNACSVFISTKNQEILKERLLLRGTDSKETIEKRLINAYKEMQCLESFDYLIINEDLEKSKEIILSIAKTLVHRLKAFNFEKICKAWKNESL
Complex: 5GP_D_4(1EX7) / Model_81(1EX7/A) = [6.9] Download883.18-0.96MNNDFNLLILSGPSGAGKSTLTKYLQEKIPKTHFSLSTTTRKPREGEVDGLHYNFVSEEEFKQGIEKGQFLEWAIVHNHYYGTSKIPVEKALKEGKIVIFDIDVQGHEILKKHYPNACSVFISTKNQEILKERLLLRGTDSKETIEKRLINAYKEMQCLESFDYLIINEDLEKSKEIILSIAKTLVHRLKAFNFEKICKAWKNESL
Complex: 5GP_D_4(1EX7) / Model_14(1EX7/A) = [6.9] Download724.69-0.96MNNDFNLLILSGPSGAGKSTLTKYLQEKIPKTHFSLSTTTRKPREGEVDGLHYNFVSEEEFKQGIEKGQFLEWAIVHNHYYGTSKIPVEKALKEGKIVIFDIDVQGHEILKKHYPNACSVFISTKNQEILKERLLLRGTDSKETIEKRLINAYKEMQCLESFDYLIINEDLEKSKEIILSIAKTLVHRLKAFNFEKICKAWKNESL
Complex: 5GP_D_4(1GKY) / Model_15(1GKY/A) = [7.0] Download883.923.12MNNDFNLLILSGPSGAGKSTLTKYLQEKIPKTHFSLSTTTRKPREGEVDGLHYNFVSEEEFKQGIEKGQFLEWAIVHNHYYGTSKIPVEKALKEGKIVIFDIDVQGHEILKKHYPNACSVFISTKNQEILKERLLLRGTDSKETIEKRLINAYKEMQCLESFDYLIINEDLEKSKEIILSIAKTLVHRLKAFNFEKICKAWKNESL
Consensus
[pKd Mean = 5.54]
-624
(s=259)
3
(s=3)
MNNDFNLLILSGPSGAGKSTLTKYLQEKIPKTHFSLSTTTRKPREGEVDGLHYNFVSEEEFKQGIEKGQFLEWAIVHNHYYGTSKIPVEKALKEGKIVIFDIDVQGHEILKKHYPNACSVFISTKNQEILKERLLLRGTDSKETIEKRLINAYKEMQCLESFDYLIINEDLEKSKEIILSIAKTLVHRLKAFNFEKICKAWKNESL