Study : jhp_1086 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: ANP_A_2(3ZLM) / Model_3(3ZLM/A) = [7.2] Download1077.5012.13MHLDRQSLEKAKHLIQSGLIDTIEVGAIKGLQEIHRFLFEGLYEFAGKIRDKNISNFRFANCLYLDLILPRMESMPQNNFNQIIEKYVEMNIAHPFLEGNGRATRIWLDLLLKKELKKIALWDRIDKAAYLSAIKRSPVNDLEIKTLLKKHLSSNINDSLTFIKGITQSYYYEGL
Complex: ANP_A_2(3S6A) / Model_2(3S6A/A) = [7.9] Download1094.3710.56MHLDRQSLEKAKHLIQSGLIDTIEVGAIKGLQEIHRFLFEGLYEFAGKIRDKNISNFRFANCLYLDLILPRMESMPQNNFNQIIEKYVEMNIAHPFLEGNGRATRIWLDLLLKKELKKIALWDRIDKAAYLSAIKRSPVNDLEIKTLLKKHLSSNINDSLTFIKGITQSYYYEGL
Complex: ANP_A_5(3SE5) / Model_6(3SE5/A) = [9.0] Download1293.2413.08MHLDRQSLEKAKHLIQSGLIDTIEVGAIKGLQEIHRFLFEGLYEFAGKIRDKNISNFRFANCLYLDLILPRMESMPQNNFNQIIEKYVEMNIAHPFLEGNGRATRIWLDLLLKKELKKIALWDRIDKAAYLSAIKRSPVNDLEIKTLLKKHLSSNINDSLTFIKGITQSYYYEGL
Complex: ANP_A_5(3SE5) / Model_60(3SE5/A) = [9.0] Download1241.7313.08MHLDRQSLEKAKHLIQSGLIDTIEVGAIKGLQEIHRFLFEGLYEFAGKIRDKNISNFRFANCLYLDLILPRMESMPQNNFNQIIEKYVEMNIAHPFLEGNGRATRIWLDLLLKKELKKIALWDRIDKAAYLSAIKRSPVNDLEIKTLLKKHLSSNINDSLTFIKGITQSYYYEGL
Complex: ANP_D_15(3SE5) / Model_36(3SE5/D) = [9.1] Download1323.2413.08MHLDRQSLEKAKHLIQSGLIDTIEVGAIKGLQEIHRFLFEGLYEFAGKIRDKNISNFRFANCLYLDLILPRMESMPQNNFNQIIEKYVEMNIAHPFLEGNGRATRIWLDLLLKKELKKIALWDRIDKAAYLSAIKRSPVNDLEIKTLLKKHLSSNINDSLTFIKGITQSYYYEGL
Consensus
[pKd Mean = 8.44]		-1206
(s=101)		12
(s=1)		MHLDRQSLEKAKHLIQSGLIDTIEVGAIKGLQEIHRFLFEGLYEFAGKIRDKNISNFRFANCLYLDLILPRMESMPQNNFNQIIEKYVEMNIAHPFLEGNGRATRIWLDLLLKKELKKIALWDRIDKAAYLSAIKRSPVNDLEIKTLLKKHLSSNINDSLTFIKGITQSYYYEGL