Study : bsu30930 (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: MPG_A_6(4RYO) / Model_31(4RYO/A) = [3.3] Download742.5544.33MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAKKYSRAASYLLLPYFLWSAFATFLSFTINSMNL
Complex: MPG_A_9(4RYR) / Model_4(4RYR/A) = [3.6] Download458.0963.00MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAKKYSRAASYLLLPYFLWSAFATFLSFTINSMNL
Complex: MPG_A_4(4RYO) / Model_7(4RYO/A) = [3.7] Download1605.4850.67MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAKKYSRAASYLLLPYFLWSAFATFLSFTINSMNL
Complex: MPG_A_4(4RYN) / Model_6(4RYN/A) = [3.9] Download639.3962.22MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAKKYSRAASYLLLPYFLWSAFATFLSFTINSMNL
Complex: PKA_B_4(4RYI) / Model_20(4RYI/B) = [7.4] Download931.3940.69MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAKKYSRAASYLLLPYFLWSAFATFLSFTINSMNL
Consensus
[pKd Mean = 4.38]
-875
(s=395)
52
(s=9)
MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAKKYSRAASYLLLPYFLWSAFATFLSFTINSMNL