Study : bsu14170 (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: FMN_C_3(1C7E) / Model_17(1C7E/A) = [6.1] Download762.2314.47MAKILLVYATMSGNTEAMADLIEKGLQEALAEVDRFEAMDIDDAQLFTDYDHVIMGTYTWGDGDLPDEFLDLVEDMEEIDFSGKTCAVFGSGDTAYEFFCGAVDTLEAKIKERGGDIVLPSVKIENNPEGEEEEELINFGRQFAKKSGCAV
Complex: FMN_B_2(5FX2) / Model_10(5FX2/A) = [6.1] Download895.217.70MAKILLVYATMSGNTEAMADLIEKGLQEALAEVDRFEAMDIDDAQLFTDYDHVIMGTYTWGDGDLPDEFLDLVEDMEEIDFSGKTCAVFGSGDTAYEFFCGAVDTLEAKIKERGGDIVLPSVKIENNPEGEEEEELINFGRQFAKKSGCAV
Complex: RBF_F_6(1BU5) / Model_21(1BU5/B) = [7.6] Download1327.503.37MAKILLVYATMSGNTEAMADLIEKGLQEALAEVDRFEAMDIDDAQLFTDYDHVIMGTYTWGDGDLPDEFLDLVEDMEEIDFSGKTCAVFGSGDTAYEFFCGAVDTLEAKIKERGGDIVLPSVKIENNPEGEEEEELINFGRQFAKKSGCAV
Complex: RBF_E_5(1BU5) / Model_15(1BU5/A) = [7.7] Download791.089.85MAKILLVYATMSGNTEAMADLIEKGLQEALAEVDRFEAMDIDDAQLFTDYDHVIMGTYTWGDGDLPDEFLDLVEDMEEIDFSGKTCAVFGSGDTAYEFFCGAVDTLEAKIKERGGDIVLPSVKIENNPEGEEEEELINFGRQFAKKSGCAV
Complex: FMN_B_2(1FX1) / Model_5(1FX1/A) = [8.1] Download657.5210.00MAKILLVYATMSGNTEAMADLIEKGLQEALAEVDRFEAMDIDDAQLFTDYDHVIMGTYTWGDGDLPDEFLDLVEDMEEIDFSGKTCAVFGSGDTAYEFFCGAVDTLEAKIKERGGDIVLPSVKIENNPEGEEEEELINFGRQFAKKSGCAV
Consensus
[pKd Mean = 7.12]
-886
(s=233)
9
(s=3)
MAKILLVYATMSGNTEAMADLIEKGLQEALAEVDRFEAMDIDDAQLFTDYDHVIMGTYTWGDGDLPDEFLDLVEDMEEIDFSGKTCAVFGSGDTAYEFFCGAVDTLEAKIKERGGDIVLPSVKIENNPEGEEEEELINFGRQFAKKSGCAV