Study : PA4481 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ANP_A_3(1JCG) / Model_4(1JCG/A) = [7.1] Download1224.4313.30MFKKLRGMFSSDLSIDLGTANTLIYVRERGIVLNEPSVVAIRSHGSQKSVVAVGTEAKRMLGRTPGNIAAIRPMKDGVIADFSVCEKMLQYFINKVHENSFLQPSPRVLICVPCKSTQVERRAIRESALGAGAREVFLIEEPMAAAIGAGLPVEEARGSMVVDIGGGTTEIALISLNGVVYAESVRVGGDRFDEAIVTYVRRNYGSLIGESTAERIKQEIGTAFPGGDVREVDVRGRNLAEGVPRSFTLNSNEVLEALQESLATIVQAVKSALEQSPPELASDIAERGLVLTGGGALLRDLDKLLAQETGLPVIVAEEPLTCVARGGGRALEMMDRHSMDLLSTE
Complex: ADP_A_3(4CZL) / Model_2(4CZL/A) = [7.4] Download1043.2613.69MFKKLRGMFSSDLSIDLGTANTLIYVRERGIVLNEPSVVAIRSHGSQKSVVAVGTEAKRMLGRTPGNIAAIRPMKDGVIADFSVCEKMLQYFINKVHENSFLQPSPRVLICVPCKSTQVERRAIRESALGAGAREVFLIEEPMAAAIGAGLPVEEARGSMVVDIGGGTTEIALISLNGVVYAESVRVGGDRFDEAIVTYVRRNYGSLIGESTAERIKQEIGTAFPGGDVREVDVRGRNLAEGVPRSFTLNSNEVLEALQESLATIVQAVKSALEQSPPELASDIAERGLVLTGGGALLRDLDKLLAQETGLPVIVAEEPLTCVARGGGRALEMMDRHSMDLLSTE
Complex: ANP_B_6(4CZJ) / Model_21(4CZJ/B) = [8.6] Download1192.8812.97MFKKLRGMFSSDLSIDLGTANTLIYVRERGIVLNEPSVVAIRSHGSQKSVVAVGTEAKRMLGRTPGNIAAIRPMKDGVIADFSVCEKMLQYFINKVHENSFLQPSPRVLICVPCKSTQVERRAIRESALGAGAREVFLIEEPMAAAIGAGLPVEEARGSMVVDIGGGTTEIALISLNGVVYAESVRVGGDRFDEAIVTYVRRNYGSLIGESTAERIKQEIGTAFPGGDVREVDVRGRNLAEGVPRSFTLNSNEVLEALQESLATIVQAVKSALEQSPPELASDIAERGLVLTGGGALLRDLDKLLAQETGLPVIVAEEPLTCVARGGGRALEMMDRHSMDLLSTE
Consensus
[pKd Mean = 7.70]
-1153
(s=79)
13
(s=0)
MFKKLRGMFSSDLSIDLGTANTLIYVRERGIVLNEPSVVAIRSHGSQKSVVAVGTEAKRMLGRTPGNIAAIRPMKDGVIADFSVCEKMLQYFINKVHENSFLQPSPRVLICVPCKSTQVERRAIRESALGAGAREVFLIEEPMAAAIGAGLPVEEARGSMVVDIGGGTTEIALISLNGVVYAESVRVGGDRFDEAIVTYVRRNYGSLIGESTAERIKQEIGTAFPGGDVREVDVRGRNLAEGVPRSFTLNSNEVLEALQESLATIVQAVKSALEQSPPELASDIAERGLVLTGGGALLRDLDKLLAQETGLPVIVAEEPLTCVARGGGRALEMMDRHSMDLLSTE