Study : jhp_1322 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: MTA_C_6(3FUX) / Model_21(3FUX/C) = [5.6] Download419.8831.84MVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYPLKTYEIDSNLCEKMRARLRAEKKPFQLELVEKDALFLKEEEPYFLISNLPYYIATRLVLNALKDPKCRGLLVMTQKEVALKFCAKDSQNALSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKEKLDKVLDFLALENQPTSVRASEVKDYLKLLKSVLKG
Complex: MTA_B_5(3FUX) / Model_22(3FUX/B) = [5.6] Download467.8027.76MVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYPLKTYEIDSNLCEKMRARLRAEKKPFQLELVEKDALFLKEEEPYFLISNLPYYIATRLVLNALKDPKCRGLLVMTQKEVALKFCAKDSQNALSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKEKLDKVLDFLALENQPTSVRASEVKDYLKLLKSVLKG
Complex: ADN_A_2(3FUU) / Model_1(3FUU/A) = [5.8] Download406.9626.09MVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYPLKTYEIDSNLCEKMRARLRAEKKPFQLELVEKDALFLKEEEPYFLISNLPYYIATRLVLNALKDPKCRGLLVMTQKEVALKFCAKDSQNALSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKEKLDKVLDFLALENQPTSVRASEVKDYLKLLKSVLKG
Complex: MTA_A_2(3FUW) / Model_2(3FUW/A) = [6.0] Download432.6629.12MVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYPLKTYEIDSNLCEKMRARLRAEKKPFQLELVEKDALFLKEEEPYFLISNLPYYIATRLVLNALKDPKCRGLLVMTQKEVALKFCAKDSQNALSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKEKLDKVLDFLALENQPTSVRASEVKDYLKLLKSVLKG
Complex: MTA_A_4(3FUX) / Model_3(3FUX/A) = [6.1] Download441.7629.12MVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYPLKTYEIDSNLCEKMRARLRAEKKPFQLELVEKDALFLKEEEPYFLISNLPYYIATRLVLNALKDPKCRGLLVMTQKEVALKFCAKDSQNALSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKEKLDKVLDFLALENQPTSVRASEVKDYLKLLKSVLKG
Consensus
[pKd Mean = 5.82]
-433
(s=20)
28
(s=2)
MVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYPLKTYEIDSNLCEKMRARLRAEKKPFQLELVEKDALFLKEEEPYFLISNLPYYIATRLVLNALKDPKCRGLLVMTQKEVALKFCAKDSQNALSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKEKLDKVLDFLALENQPTSVRASEVKDYLKLLKSVLKG