Study : Wbm0078 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: A3P_D_4(1FTH) / Model_46(1FTH/A) = [3.1] Download768.365.30MIRGIGTDIVYIPRILRILQKYGKKFLNKIYTEQEIEISRKYNSQEMQAKYLAKRFAAKEAFVKALGGFSHGIIMKDIEIYNDVRGKPHLTVSKNFIFKDHMIHLSLSDDGDCATAFVIICSSLP
Complex: A3P_C_24(3HYK) / Model_45(3HYK/A) = [4.9] Download339.29-15.83MIRGIGTDIVYIPRILRILQKYGKKFLNKIYTEQEIEISRKYNSQEMQAKYLAKRFAAKEAFVKALGGFSHGIIMKDIEIYNDVRGKPHLTVSKNFIFKDHMIHLSLSDDGDCATAFVIICSSLP
Complex: A3P_A_9(3HYK) / Model_45(3HYK/A) = [4.9] Download807.376.75MIRGIGTDIVYIPRILRILQKYGKKFLNKIYTEQEIEISRKYNSQEMQAKYLAKRFAAKEAFVKALGGFSHGIIMKDIEIYNDVRGKPHLTVSKNFIFKDHMIHLSLSDDGDCATAFVIICSSLP
Consensus
[pKd Mean = 4.30]
-638
(s=212)
-1
(s=10)
MIRGIGTDIVYIPRILRILQKYGKKFLNKIYTEQEIEISRKYNSQEMQAKYLAKRFAAKEAFVKALGGFSHGIIMKDIEIYNDVRGKPHLTVSKNFIFKDHMIHLSLSDDGDCATAFVIICSSLP