Study : bsu33150 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: ATP_A_4(3KE5) / Model_3(3KE5/A) = [4.1] Download1393.6427.65MKLYTKTGDKGQTGLVGGRTDKDSLRVESYGTIDELNSFIGLALAELSGQPGFEDLTAELLTIQHELFDCGGDLAIVTERKDYKLTEESVSFLETRIDAYTAEAPELKKFILPGGSKCASLLHIARTITRRAERRVVALMKSEEIHETVLRYLNRLSDYFFAAARVVNARSGIGDVEYERSAIVFRDRNSSES
Complex: ATP_A_7(2R6T) / Model_9(2R6T/A) = [4.3] Download1551.8231.53MKLYTKTGDKGQTGLVGGRTDKDSLRVESYGTIDELNSFIGLALAELSGQPGFEDLTAELLTIQHELFDCGGDLAIVTERKDYKLTEESVSFLETRIDAYTAEAPELKKFILPGGSKCASLLHIARTITRRAERRVVALMKSEEIHETVLRYLNRLSDYFFAAARVVNARSGIGDVEYERSAIVFRDRNSSES
Complex: B12_A_4(3CI1) / Model_5(3CI1/A) = [4.3] Download2744.0724.26MKLYTKTGDKGQTGLVGGRTDKDSLRVESYGTIDELNSFIGLALAELSGQPGFEDLTAELLTIQHELFDCGGDLAIVTERKDYKLTEESVSFLETRIDAYTAEAPELKKFILPGGSKCASLLHIARTITRRAERRVVALMKSEEIHETVLRYLNRLSDYFFAAARVVNARSGIGDVEYERSAIVFRDRNSSES
Complex: B12_A_3(3GAJ) / Model_13(3GAJ/A) = [4.5] Download2318.6021.12MKLYTKTGDKGQTGLVGGRTDKDSLRVESYGTIDELNSFIGLALAELSGQPGFEDLTAELLTIQHELFDCGGDLAIVTERKDYKLTEESVSFLETRIDAYTAEAPELKKFILPGGSKCASLLHIARTITRRAERRVVALMKSEEIHETVLRYLNRLSDYFFAAARVVNARSGIGDVEYERSAIVFRDRNSSES
Complex: B12_A_3(3GAH) / Model_11(3GAH/A) = [4.5] Download2663.7025.17MKLYTKTGDKGQTGLVGGRTDKDSLRVESYGTIDELNSFIGLALAELSGQPGFEDLTAELLTIQHELFDCGGDLAIVTERKDYKLTEESVSFLETRIDAYTAEAPELKKFILPGGSKCASLLHIARTITRRAERRVVALMKSEEIHETVLRYLNRLSDYFFAAARVVNARSGIGDVEYERSAIVFRDRNSSES
Consensus
[pKd Mean = 4.34]
-2134
(s=561)
25
(s=3)
MKLYTKTGDKGQTGLVGGRTDKDSLRVESYGTIDELNSFIGLALAELSGQPGFEDLTAELLTIQHELFDCGGDLAIVTERKDYKLTEESVSFLETRIDAYTAEAPELKKFILPGGSKCASLLHIARTITRRAERRVVALMKSEEIHETVLRYLNRLSDYFFAAARVVNARSGIGDVEYERSAIVFRDRNSSES