Study : SA1958 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_J_5(4YMV) / Model_6(4YMV/J) = [4.5] Download1072.431.75MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
Complex: ADP_A_2(4U00) / Model_11(4U00/A) = [5.1] Download621.03-2.46MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
Complex: ATP_J_5(4YMU) / Model_5(4YMU/J) = [5.3] Download622.31-11.00MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
Consensus
[pKd Mean = 4.97]
-771
(s=212)
-3
(s=5)
MLIQLDQIGRMKQGKTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE