Study : I2JNQ5_9GAMM (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: PT3_A_6(3MES) / Model_68(3MES/A) = [3.3] Download994.349.47MTMPQANIIPNDWWRWSDSQPVIIKPLLGGLTNLNYLISVNHELFVLRKNSAISEALNLNRSAEAKALSRADEAGLCAPLIYYDDQHQYMVSRYLGDKTWSVSIDHNLSLLAELLRGIHQLPGIDADLNVENKISCYWQAIDAQAAFTRELISLDSAVGAHITSAKALNNGHVLCHNDLLASNLIISNKDKLYAIDWEYAAMSDPFYELAVIIEGNALNAKQQQSLLTRYLRQPISALDWQRLYHWQIIYGYLCVLWYAVQYSNGAMPNIVSEIHRQILAIKALAAKDA
Consensus
[pKd Mean = 3.30]
-994
(s=0)
9
(s=0)
MTMPQANIIPNDWWRWSDSQPVIIKPLLGGLTNLNYLISVNHELFVLRKNSAISEALNLNRSAEAKALSRADEAGLCAPLIYYDDQHQYMVSRYLGDKTWSVSIDHNLSLLAELLRGIHQLPGIDADLNVENKISCYWQAIDAQAAFTRELISLDSAVGAHITSAKALNNGHVLCHNDLLASNLIISNKDKLYAIDWEYAAMSDPFYELAVIIEGNALNAKQQQSLLTRYLRQPISALDWQRLYHWQIIYGYLCVLWYAVQYSNGAMPNIVSEIHRQILAIKALAAKDA