Study : jhp_1023 (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: NDP_C_9(2JAP) / Model_39(2JAP/C) = [13.2] Download1053.6219.62MAHILVSGATSGFGLEIAKAFLQKNHVVFGTGRRQENLQKLQLAYPKRFIPLCFDLQNKPETKRAIETIFSMTDRIDALINNAGLALGLNKAYECELDDWEVMIDTNIKGLLHLTRLILPSMIEHDQGTIINLGSIAGTYAYPGGNVYGASKAFVKQFSLNLRADLAGTNIRVSNVEPGLCGETEFSMVRFKGDKIKAQSVYENTLYLKPQDIANIVLWIYEQPSHVNINRIEIMPTSQTFAPLPTHKNP
Complex: NDP_A_5(2JAP) / Model_8(2JAP/A) = [13.3] Download1076.3019.67MAHILVSGATSGFGLEIAKAFLQKNHVVFGTGRRQENLQKLQLAYPKRFIPLCFDLQNKPETKRAIETIFSMTDRIDALINNAGLALGLNKAYECELDDWEVMIDTNIKGLLHLTRLILPSMIEHDQGTIINLGSIAGTYAYPGGNVYGASKAFVKQFSLNLRADLAGTNIRVSNVEPGLCGETEFSMVRFKGDKIKAQSVYENTLYLKPQDIANIVLWIYEQPSHVNINRIEIMPTSQTFAPLPTHKNP
Complex: NDP_B_7(2JAP) / Model_40(2JAP/B) = [13.4] Download1061.5917.64MAHILVSGATSGFGLEIAKAFLQKNHVVFGTGRRQENLQKLQLAYPKRFIPLCFDLQNKPETKRAIETIFSMTDRIDALINNAGLALGLNKAYECELDDWEVMIDTNIKGLLHLTRLILPSMIEHDQGTIINLGSIAGTYAYPGGNVYGASKAFVKQFSLNLRADLAGTNIRVSNVEPGLCGETEFSMVRFKGDKIKAQSVYENTLYLKPQDIANIVLWIYEQPSHVNINRIEIMPTSQTFAPLPTHKNP
Complex: NDP_D_11(2JAP) / Model_38(2JAP/D) = [13.6] Download1099.2219.62MAHILVSGATSGFGLEIAKAFLQKNHVVFGTGRRQENLQKLQLAYPKRFIPLCFDLQNKPETKRAIETIFSMTDRIDALINNAGLALGLNKAYECELDDWEVMIDTNIKGLLHLTRLILPSMIEHDQGTIINLGSIAGTYAYPGGNVYGASKAFVKQFSLNLRADLAGTNIRVSNVEPGLCGETEFSMVRFKGDKIKAQSVYENTLYLKPQDIANIVLWIYEQPSHVNINRIEIMPTSQTFAPLPTHKNP
Complex: NAP_A_5(3RKU) / Model_4(3RKU/A) = [13.6] Download1187.5723.72MAHILVSGATSGFGLEIAKAFLQKNHVVFGTGRRQENLQKLQLAYPKRFIPLCFDLQNKPETKRAIETIFSMTDRIDALINNAGLALGLNKAYECELDDWEVMIDTNIKGLLHLTRLILPSMIEHDQGTIINLGSIAGTYAYPGGNVYGASKAFVKQFSLNLRADLAGTNIRVSNVEPGLCGETEFSMVRFKGDKIKAQSVYENTLYLKPQDIANIVLWIYEQPSHVNINRIEIMPTSQTFAPLPTHKNP
Consensus
[pKd Mean = 13.42]
-1095
(s=48)
20
(s=1)
MAHILVSGATSGFGLEIAKAFLQKNHVVFGTGRRQENLQKLQLAYPKRFIPLCFDLQNKPETKRAIETIFSMTDRIDALINNAGLALGLNKAYECELDDWEVMIDTNIKGLLHLTRLILPSMIEHDQGTIINLGSIAGTYAYPGGNVYGASKAFVKQFSLNLRADLAGTNIRVSNVEPGLCGETEFSMVRFKGDKIKAQSVYENTLYLKPQDIANIVLWIYEQPSHVNINRIEIMPTSQTFAPLPTHKNP