Study : bsu28500 (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: MPD_A_9(2TRX) / Model_58(2TRX/A) = [3.4] Download597.8547.57MAIVKATDQSFSAETSEGVVLADFWAPWCGPCKMIAPVLEELDQEMGDKLKIVKIDVDENQETAGKYGVMSIPTLLVLKDGEVVETSVGFKPKEALQELVNKHL
Complex: MPD_A_3(2H72) / Model_69(2H72/A) = [3.5] Download456.3338.40MAIVKATDQSFSAETSEGVVLADFWAPWCGPCKMIAPVLEELDQEMGDKLKIVKIDVDENQETAGKYGVMSIPTLLVLKDGEVVETSVGFKPKEALQELVNKHL
Complex: MPD_A_3(2H6X) / Model_59(2H6X/A) = [3.6] Download708.0650.78MAIVKATDQSFSAETSEGVVLADFWAPWCGPCKMIAPVLEELDQEMGDKLKIVKIDVDENQETAGKYGVMSIPTLLVLKDGEVVETSVGFKPKEALQELVNKHL
Complex: MPD_A_10(2TRX) / Model_132(2TRX/A) = [3.7] Download158.7853.00MAIVKATDQSFSAETSEGVVLADFWAPWCGPCKMIAPVLEELDQEMGDKLKIVKIDVDENQETAGKYGVMSIPTLLVLKDGEVVETSVGFKPKEALQELVNKHL
Complex: MPD_A_3(2H76) / Model_53(2H76/A) = [3.9] Download694.8650.78MAIVKATDQSFSAETSEGVVLADFWAPWCGPCKMIAPVLEELDQEMGDKLKIVKIDVDENQETAGKYGVMSIPTLLVLKDGEVVETSVGFKPKEALQELVNKHL
Consensus
[pKd Mean = 3.62]
-523
(s=203)
48
(s=5)
MAIVKATDQSFSAETSEGVVLADFWAPWCGPCKMIAPVLEELDQEMGDKLKIVKIDVDENQETAGKYGVMSIPTLLVLKDGEVVETSVGFKPKEALQELVNKHL