Study : SA1427 (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: SAH_A_4(4G89) / Model_5(4G89/A) = [3.4] Download715.895.67MIGIIGAMEEEVTILKNKLTQLSEISVAHVKFYTGILKDREVVITQSGIGKVNAAISTTLLINKFKPDVIINTGSAGALDESLNVGDVLISDDVKYHDADATAFGYEYGQIPQMPVAFQSSKPLIEKVSQVVQQQQLTAKVGLIVSGDSFIGSVEQRQKIKKAFPNAMAVEMEATAIAQTCYQFNVPFVVVRAVSDLANGEAEMSFEAFLEKAAVSSSQTVEALVSQL
Complex: SR1_E_5(1Z5N) / Model_38(1Z5N/B) = [3.4] Download401.1913.25MIGIIGAMEEEVTILKNKLTQLSEISVAHVKFYTGILKDREVVITQSGIGKVNAAISTTLLINKFKPDVIINTGSAGALDESLNVGDVLISDDVKYHDADATAFGYEYGQIPQMPVAFQSSKPLIEKVSQVVQQQQLTAKVGLIVSGDSFIGSVEQRQKIKKAFPNAMAVEMEATAIAQTCYQFNVPFVVVRAVSDLANGEAEMSFEAFLEKAAVSSSQTVEALVSQL
Complex: ADE_B_4(4QEZ) / Model_43(4QEZ/B) = [3.5] Download321.1614.32MIGIIGAMEEEVTILKNKLTQLSEISVAHVKFYTGILKDREVVITQSGIGKVNAAISTTLLINKFKPDVIINTGSAGALDESLNVGDVLISDDVKYHDADATAFGYEYGQIPQMPVAFQSSKPLIEKVSQVVQQQQLTAKVGLIVSGDSFIGSVEQRQKIKKAFPNAMAVEMEATAIAQTCYQFNVPFVVVRAVSDLANGEAEMSFEAFLEKAAVSSSQTVEALVSQL
Complex: EDO_B_6(3NM4) / Model_64(3NM4/B) = [3.5] Download337.1519.36MIGIIGAMEEEVTILKNKLTQLSEISVAHVKFYTGILKDREVVITQSGIGKVNAAISTTLLINKFKPDVIINTGSAGALDESLNVGDVLISDDVKYHDADATAFGYEYGQIPQMPVAFQSSKPLIEKVSQVVQQQQLTAKVGLIVSGDSFIGSVEQRQKIKKAFPNAMAVEMEATAIAQTCYQFNVPFVVVRAVSDLANGEAEMSFEAFLEKAAVSSSQTVEALVSQL
Complex: ADE_C_9(4QEZ) / Model_42(4QEZ/C) = [3.6] Download249.9813.78MIGIIGAMEEEVTILKNKLTQLSEISVAHVKFYTGILKDREVVITQSGIGKVNAAISTTLLINKFKPDVIINTGSAGALDESLNVGDVLISDDVKYHDADATAFGYEYGQIPQMPVAFQSSKPLIEKVSQVVQQQQLTAKVGLIVSGDSFIGSVEQRQKIKKAFPNAMAVEMEATAIAQTCYQFNVPFVVVRAVSDLANGEAEMSFEAFLEKAAVSSSQTVEALVSQL
Consensus
[pKd Mean = 3.48]
-405
(s=162)
13
(s=4)
MIGIIGAMEEEVTILKNKLTQLSEISVAHVKFYTGILKDREVVITQSGIGKVNAAISTTLLINKFKPDVIINTGSAGALDESLNVGDVLISDDVKYHDADATAFGYEYGQIPQMPVAFQSSKPLIEKVSQVVQQQQLTAKVGLIVSGDSFIGSVEQRQKIKKAFPNAMAVEMEATAIAQTCYQFNVPFVVVRAVSDLANGEAEMSFEAFLEKAAVSSSQTVEALVSQL