Study : bsu08220 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ATP_A_7(1MV5) / Model_66(1MV5/D) = [3.2] Download689.0434.50MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK
Complex: ATP_H_8(2FGK) / Model_77(2FGK/C) = [4.0] Download1361.3518.87MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK
Complex: AGS_A_3(4S0F) / Model_35(4S0F/B) = [4.1] Download1489.318.67MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK
Complex: ATP_C_9(1MV5) / Model_68(1MV5/B) = [4.2] Download944.1826.50MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK
Complex: ATP_B_10(1XEF) / Model_89(1XEF/A) = [4.2] Download969.2321.54MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK
Consensus
[pKd Mean = 3.94]
-1090
(s=293)
22
(s=8)
MLKDIRKPFQYPKLPIDKKEGAKKRAKAKDTKGTLRRIWSYLAERKGLLILVMLMVVISAIFGLLGPFVIGKAIDHFIVGKTVSGLIPVLLLLLAIYIIQSLSLWFQNYWMITISQGTVFRMRSELFTHLHELPIPFFDKQRHGELMSRVTNDIENVSSTLNTSVIQILSSVITFVGTIAVMLYMSPLLTLITLTIIPVMAASLKWITNRTGKLFKEQQKNLGDLNGYIEESVSGAKVIKAYSREKQITAEFLEKNAALKTSGFWAQTISGFIPKVMNSLNNLSFTMIAAIGGLFALKGWISIGSIVVFAEYSRQFTRPLNDLANQFNTMLSAIAGAERVFDVLDEKEEREDEKNAVHQPIQTGSIEFRDVSFGYDKGQQTLKHLQFTVPAGQSIAFVGPTGAGKTTVTNLLARFYEPNDGKILIDGTDIKTLTRASLRKNMGFVLQDSFLFQGTIRENIRYGRLDASDQEVEAAAKTANAHSFIERLPKGYDTVLTQNGSGISQGQKQLISIARAVLADPVLLILDEATSNIDTVTEVNIQEALARLMEGRTSVIIAHRLNTIQRADQIVVLKNGEMIEKGSHDELIRQKGFYSDLYESQFEK