Study : bsu28210 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: COA_A_3(1QR0) / Model_43(1QR0/A) = [4.5] Download836.270.58MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDSKPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAGKGLSLPLDSFSVRLKDDGHVSIELPDGHEPCFIRTYDADEEYKLAVCAAHPDFCDGIEMKTYEELL
Complex: COA_A_3(2CG5) / Model_5(2CG5/A) = [6.7] Download1292.4813.64MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDSKPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAGKGLSLPLDSFSVRLKDDGHVSIELPDGHEPCFIRTYDADEEYKLAVCAAHPDFCDGIEMKTYEELL
Complex: COA_A_3(1QR0) / Model_16(1QR0/A) = [7.3] Download1731.9312.29MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDSKPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAGKGLSLPLDSFSVRLKDDGHVSIELPDGHEPCFIRTYDADEEYKLAVCAAHPDFCDGIEMKTYEELL
Complex: COA_A_3(1QR0) / Model_2(1QR0/A) = [7.3] Download1943.1712.29MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDSKPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAGKGLSLPLDSFSVRLKDDGHVSIELPDGHEPCFIRTYDADEEYKLAVCAAHPDFCDGIEMKTYEELL
Complex: COA_A_3(1QR0) / Model_41(1QR0/A) = [7.3] Download2029.8812.29MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDSKPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAGKGLSLPLDSFSVRLKDDGHVSIELPDGHEPCFIRTYDADEEYKLAVCAAHPDFCDGIEMKTYEELL
Consensus
[pKd Mean = 6.62]
-1566
(s=445)
10
(s=4)
MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDSKPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAGKGLSLPLDSFSVRLKDDGHVSIELPDGHEPCFIRTYDADEEYKLAVCAAHPDFCDGIEMKTYEELL