Study : SA0781 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: FMN_B_10(4IQL) / Model_26(4IQL/B) = [4.4] Download1146.8227.14MWNKNRLTQMLSIEYPIIQAGMAGSTTPKLVASVSNSGGLGTIGAGYFNTQQLEDEIDYVRQLTSNSFGVNVFVPSQQSYTSSQIENMNAWLKPYRRALHLEEPVVKIIEEQQFKCHIDTIIKKQVPVCCFTFGIPNESIIERLKEANIKLIGTATSVDEAIANEKAGMDAIVAQGSEAGGHRGSFLKPKNQLPMVGTISLVPQIVDVVSIPVIAAGGIMDGRGVLASIVLGAEGVQMGTAFLTSQDSNASELLRDAIINSKETDTVVTKAFSGKLARGINNRFIEEMSQYEGDIPDYPIQNELTSSIRKAAANIGDKELTHMWSGQSPRLATTHPANTIMSNIINQINQIMQYK
Complex: FMN_A_3(4IQL) / Model_8(4IQL/A) = [5.8] Download706.6025.85MWNKNRLTQMLSIEYPIIQAGMAGSTTPKLVASVSNSGGLGTIGAGYFNTQQLEDEIDYVRQLTSNSFGVNVFVPSQQSYTSSQIENMNAWLKPYRRALHLEEPVVKIIEEQQFKCHIDTIIKKQVPVCCFTFGIPNESIIERLKEANIKLIGTATSVDEAIANEKAGMDAIVAQGSEAGGHRGSFLKPKNQLPMVGTISLVPQIVDVVSIPVIAAGGIMDGRGVLASIVLGAEGVQMGTAFLTSQDSNASELLRDAIINSKETDTVVTKAFSGKLARGINNRFIEEMSQYEGDIPDYPIQNELTSSIRKAAANIGDKELTHMWSGQSPRLATTHPANTIMSNIINQINQIMQYK
Complex: FMN_B_5(4QIT) / Model_23(4QIT/B) = [8.8] Download873.3327.57MWNKNRLTQMLSIEYPIIQAGMAGSTTPKLVASVSNSGGLGTIGAGYFNTQQLEDEIDYVRQLTSNSFGVNVFVPSQQSYTSSQIENMNAWLKPYRRALHLEEPVVKIIEEQQFKCHIDTIIKKQVPVCCFTFGIPNESIIERLKEANIKLIGTATSVDEAIANEKAGMDAIVAQGSEAGGHRGSFLKPKNQLPMVGTISLVPQIVDVVSIPVIAAGGIMDGRGVLASIVLGAEGVQMGTAFLTSQDSNASELLRDAIINSKETDTVVTKAFSGKLARGINNRFIEEMSQYEGDIPDYPIQNELTSSIRKAAANIGDKELTHMWSGQSPRLATTHPANTIMSNIINQINQIMQYK
Complex: FMN_A_3(4QIT) / Model_3(4QIT/A) = [8.9] Download879.1527.57MWNKNRLTQMLSIEYPIIQAGMAGSTTPKLVASVSNSGGLGTIGAGYFNTQQLEDEIDYVRQLTSNSFGVNVFVPSQQSYTSSQIENMNAWLKPYRRALHLEEPVVKIIEEQQFKCHIDTIIKKQVPVCCFTFGIPNESIIERLKEANIKLIGTATSVDEAIANEKAGMDAIVAQGSEAGGHRGSFLKPKNQLPMVGTISLVPQIVDVVSIPVIAAGGIMDGRGVLASIVLGAEGVQMGTAFLTSQDSNASELLRDAIINSKETDTVVTKAFSGKLARGINNRFIEEMSQYEGDIPDYPIQNELTSSIRKAAANIGDKELTHMWSGQSPRLATTHPANTIMSNIINQINQIMQYK
Complex: FMN_A_3(4QIS) / Model_2(4QIS/A) = [8.9] Download858.3727.57MWNKNRLTQMLSIEYPIIQAGMAGSTTPKLVASVSNSGGLGTIGAGYFNTQQLEDEIDYVRQLTSNSFGVNVFVPSQQSYTSSQIENMNAWLKPYRRALHLEEPVVKIIEEQQFKCHIDTIIKKQVPVCCFTFGIPNESIIERLKEANIKLIGTATSVDEAIANEKAGMDAIVAQGSEAGGHRGSFLKPKNQLPMVGTISLVPQIVDVVSIPVIAAGGIMDGRGVLASIVLGAEGVQMGTAFLTSQDSNASELLRDAIINSKETDTVVTKAFSGKLARGINNRFIEEMSQYEGDIPDYPIQNELTSSIRKAAANIGDKELTHMWSGQSPRLATTHPANTIMSNIINQINQIMQYK
Consensus
[pKd Mean = 7.36]
-892
(s=142)
27
(s=0)
MWNKNRLTQMLSIEYPIIQAGMAGSTTPKLVASVSNSGGLGTIGAGYFNTQQLEDEIDYVRQLTSNSFGVNVFVPSQQSYTSSQIENMNAWLKPYRRALHLEEPVVKIIEEQQFKCHIDTIIKKQVPVCCFTFGIPNESIIERLKEANIKLIGTATSVDEAIANEKAGMDAIVAQGSEAGGHRGSFLKPKNQLPMVGTISLVPQIVDVVSIPVIAAGGIMDGRGVLASIVLGAEGVQMGTAFLTSQDSNASELLRDAIINSKETDTVVTKAFSGKLARGINNRFIEEMSQYEGDIPDYPIQNELTSSIRKAAANIGDKELTHMWSGQSPRLATTHPANTIMSNIINQINQIMQYK