Study : bsu40850 (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: COA_G_7(1KRV) / Model_24(1KRV/B) = [3.1] Download1280.3728.41MLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNETPEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL
Complex: COA_F_6(1KRU) / Model_11(1KRU/A) = [3.3] Download1695.8232.22MLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNETPEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL
Complex: COA_E_5(1KRU) / Model_25(1KRU/C) = [3.3] Download1458.9032.22MLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNETPEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL
Complex: GOL_A_6(3SRT) / Model_6(3SRT/A) = [3.3] Download453.4816.18MLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNETPEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL
Complex: COA_B_9(3V4E) / Model_32(3V4E/B) = [3.3] Download1907.6022.47MLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNETPEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL
Consensus
[pKd Mean = 3.26]
-1359
(s=500)
26
(s=6)
MLRTEKEKMAAGELYNSEDQQLLLERKHARQLIRQYNETPEDDAVRTKLLKELLGSVGDQVTILPTFRCDYGYHIHIGDHTFVNFDCVILDVCEVRIGCHCLIAPGVHIYTAGHPLDPIERKSGKEFGKPVTIGDQVWIGGRAVINPGVTIGDNAVIASGSVVTKDVPANTVVGGNPARILKQL