Study : SA2172 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C15_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 C15_S1
Complex: ASP_B_10(4IZM) / Model_55(4IZM/B) = [3.1] Download1737.9939.88MALFKRKISLPMQVVIALVLGVVVGLLLYGQENVANYIKPFGDVFLNLIKMIVIPVVFCSLALSISNVGESKTVGRYGWKTILYFEIITTIAIGLGIIFGNLFKPGAGLDPTKLPKGDISKYQSTAHAAEQSTYGNHFIDTIVHIIPTNFFEALNKGELLPIIFFAVFFGLGLAAVGKKAEPVKEFLSGSLEAVFWMINKILKLAPLGVFAFICTTIITFGASALLPLLKLVLVVVFAMVFFVFAILGLVAWMCGINIMNIIRILKSELLLAFSTSSSEAVLPVMMKKMENFGSPKEITSFVIPIGYTFNLDGSALYQSIAALFVAQMYGMHLTLSEQIVLMLTLMITSKGMAAVPGTSIVVLLTTLGAMGLPAQGLALIIGVDRILDMVRTCVNVIGNALSTIVIAKWENVYDKAKGQEYLKSI
Complex: ASP_C_10(4X2S) / Model_21(4X2S/C) = [3.4] Download2900.2634.89MALFKRKISLPMQVVIALVLGVVVGLLLYGQENVANYIKPFGDVFLNLIKMIVIPVVFCSLALSISNVGESKTVGRYGWKTILYFEIITTIAIGLGIIFGNLFKPGAGLDPTKLPKGDISKYQSTAHAAEQSTYGNHFIDTIVHIIPTNFFEALNKGELLPIIFFAVFFGLGLAAVGKKAEPVKEFLSGSLEAVFWMINKILKLAPLGVFAFICTTIITFGASALLPLLKLVLVVVFAMVFFVFAILGLVAWMCGINIMNIIRILKSELLLAFSTSSSEAVLPVMMKKMENFGSPKEITSFVIPIGYTFNLDGSALYQSIAALFVAQMYGMHLTLSEQIVLMLTLMITSKGMAAVPGTSIVVLLTTLGAMGLPAQGLALIIGVDRILDMVRTCVNVIGNALSTIVIAKWENVYDKAKGQEYLKSI
Complex: TB1_E_5(2NWW) / Model_33(2NWW/B) = [3.4] Download637.3121.57MALFKRKISLPMQVVIALVLGVVVGLLLYGQENVANYIKPFGDVFLNLIKMIVIPVVFCSLALSISNVGESKTVGRYGWKTILYFEIITTIAIGLGIIFGNLFKPGAGLDPTKLPKGDISKYQSTAHAAEQSTYGNHFIDTIVHIIPTNFFEALNKGELLPIIFFAVFFGLGLAAVGKKAEPVKEFLSGSLEAVFWMINKILKLAPLGVFAFICTTIITFGASALLPLLKLVLVVVFAMVFFVFAILGLVAWMCGINIMNIIRILKSELLLAFSTSSSEAVLPVMMKKMENFGSPKEITSFVIPIGYTFNLDGSALYQSIAALFVAQMYGMHLTLSEQIVLMLTLMITSKGMAAVPGTSIVVLLTTLGAMGLPAQGLALIIGVDRILDMVRTCVNVIGNALSTIVIAKWENVYDKAKGQEYLKSI
Complex: ASP_B_5(3KBC) / Model_35(3KBC/B) = [3.4] Download2192.4240.08MALFKRKISLPMQVVIALVLGVVVGLLLYGQENVANYIKPFGDVFLNLIKMIVIPVVFCSLALSISNVGESKTVGRYGWKTILYFEIITTIAIGLGIIFGNLFKPGAGLDPTKLPKGDISKYQSTAHAAEQSTYGNHFIDTIVHIIPTNFFEALNKGELLPIIFFAVFFGLGLAAVGKKAEPVKEFLSGSLEAVFWMINKILKLAPLGVFAFICTTIITFGASALLPLLKLVLVVVFAMVFFVFAILGLVAWMCGINIMNIIRILKSELLLAFSTSSSEAVLPVMMKKMENFGSPKEITSFVIPIGYTFNLDGSALYQSIAALFVAQMYGMHLTLSEQIVLMLTLMITSKGMAAVPGTSIVVLLTTLGAMGLPAQGLALIIGVDRILDMVRTCVNVIGNALSTIVIAKWENVYDKAKGQEYLKSI
Complex: ASP_C_6(3KBC) / Model_34(3KBC/C) = [3.4] Download2615.1839.46MALFKRKISLPMQVVIALVLGVVVGLLLYGQENVANYIKPFGDVFLNLIKMIVIPVVFCSLALSISNVGESKTVGRYGWKTILYFEIITTIAIGLGIIFGNLFKPGAGLDPTKLPKGDISKYQSTAHAAEQSTYGNHFIDTIVHIIPTNFFEALNKGELLPIIFFAVFFGLGLAAVGKKAEPVKEFLSGSLEAVFWMINKILKLAPLGVFAFICTTIITFGASALLPLLKLVLVVVFAMVFFVFAILGLVAWMCGINIMNIIRILKSELLLAFSTSSSEAVLPVMMKKMENFGSPKEITSFVIPIGYTFNLDGSALYQSIAALFVAQMYGMHLTLSEQIVLMLTLMITSKGMAAVPGTSIVVLLTTLGAMGLPAQGLALIIGVDRILDMVRTCVNVIGNALSTIVIAKWENVYDKAKGQEYLKSI
Consensus
[pKd Mean = 3.34]
-2016
(s=793)
35
(s=7)
MALFKRKISLPMQVVIALVLGVVVGLLLYGQENVANYIKPFGDVFLNLIKMIVIPVVFCSLALSISNVGESKTVGRYGWKTILYFEIITTIAIGLGIIFGNLFKPGAGLDPTKLPKGDISKYQSTAHAAEQSTYGNHFIDTIVHIIPTNFFEALNKGELLPIIFFAVFFGLGLAAVGKKAEPVKEFLSGSLEAVFWMINKILKLAPLGVFAFICTTIITFGASALLPLLKLVLVVVFAMVFFVFAILGLVAWMCGINIMNIIRILKSELLLAFSTSSSEAVLPVMMKKMENFGSPKEITSFVIPIGYTFNLDGSALYQSIAALFVAQMYGMHLTLSEQIVLMLTLMITSKGMAAVPGTSIVVLLTTLGAMGLPAQGLALIIGVDRILDMVRTCVNVIGNALSTIVIAKWENVYDKAKGQEYLKSI