Study : jhp_0978 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: DAH_A_3(3TEH) / Model_15(3TEH/A) = [3.1] Download476.4233.33MHTLIERLEKVTNSKELEEARLNALGKKGVFADKFNQLKNLNGEEKNAFAKEIHHYKQAFEKAFELKKKAIMELELEERLKKEKIDVSLFNAIKTSSSHPLNYTKNKIIEFFTPLGYKLEIGSLVEDDFHNFSALNLPPYHPARDMQDTFYFKDHKLLRTHTSPVQIHTMQEQTPPIKMICLGETFRCDYDLTHTPMFHQIEGLVVDQKGNIRFTHLKGVIEDFLHYFFGGVKLRWRSSFFPFTEPSAEVDISCVFCKQEGCRVCSHTGWLEVLGCGMVNNAVFEAIGYENVSGFAFGMGIERLAMLTCQINDLRSFFETDLRVLESF
Complex: TYR_A_5(2AMC) / Model_19(2AMC/A) = [3.8] Download5309.2528.24MHTLIERLEKVTNSKELEEARLNALGKKGVFADKFNQLKNLNGEEKNAFAKEIHHYKQAFEKAFELKKKAIMELELEERLKKEKIDVSLFNAIKTSSSHPLNYTKNKIIEFFTPLGYKLEIGSLVEDDFHNFSALNLPPYHPARDMQDTFYFKDHKLLRTHTSPVQIHTMQEQTPPIKMICLGETFRCDYDLTHTPMFHQIEGLVVDQKGNIRFTHLKGVIEDFLHYFFGGVKLRWRSSFFPFTEPSAEVDISCVFCKQEGCRVCSHTGWLEVLGCGMVNNAVFEAIGYENVSGFAFGMGIERLAMLTCQINDLRSFFETDLRVLESF
Complex: PHE_A_4(1B70) / Model_11(1B70/A) = [4.0] Download10289.6625.05MHTLIERLEKVTNSKELEEARLNALGKKGVFADKFNQLKNLNGEEKNAFAKEIHHYKQAFEKAFELKKKAIMELELEERLKKEKIDVSLFNAIKTSSSHPLNYTKNKIIEFFTPLGYKLEIGSLVEDDFHNFSALNLPPYHPARDMQDTFYFKDHKLLRTHTSPVQIHTMQEQTPPIKMICLGETFRCDYDLTHTPMFHQIEGLVVDQKGNIRFTHLKGVIEDFLHYFFGGVKLRWRSSFFPFTEPSAEVDISCVFCKQEGCRVCSHTGWLEVLGCGMVNNAVFEAIGYENVSGFAFGMGIERLAMLTCQINDLRSFFETDLRVLESF
Complex: MTY_A_3(3HFZ) / Model_14(3HFZ/A) = [4.3] Download579.0426.81MHTLIERLEKVTNSKELEEARLNALGKKGVFADKFNQLKNLNGEEKNAFAKEIHHYKQAFEKAFELKKKAIMELELEERLKKEKIDVSLFNAIKTSSSHPLNYTKNKIIEFFTPLGYKLEIGSLVEDDFHNFSALNLPPYHPARDMQDTFYFKDHKLLRTHTSPVQIHTMQEQTPPIKMICLGETFRCDYDLTHTPMFHQIEGLVVDQKGNIRFTHLKGVIEDFLHYFFGGVKLRWRSSFFPFTEPSAEVDISCVFCKQEGCRVCSHTGWLEVLGCGMVNNAVFEAIGYENVSGFAFGMGIERLAMLTCQINDLRSFFETDLRVLESF
Complex: 200_A_5(2AKW) / Model_17(2AKW/A) = [4.4] Download531.4735.50MHTLIERLEKVTNSKELEEARLNALGKKGVFADKFNQLKNLNGEEKNAFAKEIHHYKQAFEKAFELKKKAIMELELEERLKKEKIDVSLFNAIKTSSSHPLNYTKNKIIEFFTPLGYKLEIGSLVEDDFHNFSALNLPPYHPARDMQDTFYFKDHKLLRTHTSPVQIHTMQEQTPPIKMICLGETFRCDYDLTHTPMFHQIEGLVVDQKGNIRFTHLKGVIEDFLHYFFGGVKLRWRSSFFPFTEPSAEVDISCVFCKQEGCRVCSHTGWLEVLGCGMVNNAVFEAIGYENVSGFAFGMGIERLAMLTCQINDLRSFFETDLRVLESF
Consensus
[pKd Mean = 3.92]
-3437
(s=3894)
29
(s=4)
MHTLIERLEKVTNSKELEEARLNALGKKGVFADKFNQLKNLNGEEKNAFAKEIHHYKQAFEKAFELKKKAIMELELEERLKKEKIDVSLFNAIKTSSSHPLNYTKNKIIEFFTPLGYKLEIGSLVEDDFHNFSALNLPPYHPARDMQDTFYFKDHKLLRTHTSPVQIHTMQEQTPPIKMICLGETFRCDYDLTHTPMFHQIEGLVVDQKGNIRFTHLKGVIEDFLHYFFGGVKLRWRSSFFPFTEPSAEVDISCVFCKQEGCRVCSHTGWLEVLGCGMVNNAVFEAIGYENVSGFAFGMGIERLAMLTCQINDLRSFFETDLRVLESF