Study : jhp_0976 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: LPG_C_3(1I29) / Model_2(1I29/A) = [3.5] Download499.37-11.17MRAFLNRSFAPLLNPNENLLDQVKSSIILKKGVSYFDWGASGLASALVEKRVKSLLPYYANAHSVASKHAILMGMLLKECQEKLKRSLNLSANHCVLSAGYGASSAIKKFQEILGVCIPSKTKKNLEPYLKDMALKRVIVGPYEHHSNEVSWREGLCEVVRIPLNEHGLLDLEILEQTLKKTPNSLVSVSAASNVTGILTPLKEVSSLCKEYRAILALDLANFSAHANPKDCEYQTGFYAPHKLLGGVGGCGLLGISKDLIDTQIPPSFSAGGVIKYANRTRHEFIDELPLREEFGTPGLLQFYRSALAYQLRDECGLDFIHKKENNLLRVLVYGLKDLPAINIYGNLTASRVGVVAFNIGGISPYDLARVLSYEYAIETRAGCSCAGPYGHDLLNLNAQKSSDFNAKPGWLRVSLHFTHSINDIDYLLDSLKKAVKKLR
Complex: SLP_A_4(3A9Z) / Model_35(3A9Z/A) = [3.7] Download276.09-2.38MRAFLNRSFAPLLNPNENLLDQVKSSIILKKGVSYFDWGASGLASALVEKRVKSLLPYYANAHSVASKHAILMGMLLKECQEKLKRSLNLSANHCVLSAGYGASSAIKKFQEILGVCIPSKTKKNLEPYLKDMALKRVIVGPYEHHSNEVSWREGLCEVVRIPLNEHGLLDLEILEQTLKKTPNSLVSVSAASNVTGILTPLKEVSSLCKEYRAILALDLANFSAHANPKDCEYQTGFYAPHKLLGGVGGCGLLGISKDLIDTQIPPSFSAGGVIKYANRTRHEFIDELPLREEFGTPGLLQFYRSALAYQLRDECGLDFIHKKENNLLRVLVYGLKDLPAINIYGNLTASRVGVVAFNIGGISPYDLARVLSYEYAIETRAGCSCAGPYGHDLLNLNAQKSSDFNAKPGWLRVSLHFTHSINDIDYLLDSLKKAVKKLR
Consensus
[pKd Mean = 3.60]
-387
(s=111)
-6
(s=4)
MRAFLNRSFAPLLNPNENLLDQVKSSIILKKGVSYFDWGASGLASALVEKRVKSLLPYYANAHSVASKHAILMGMLLKECQEKLKRSLNLSANHCVLSAGYGASSAIKKFQEILGVCIPSKTKKNLEPYLKDMALKRVIVGPYEHHSNEVSWREGLCEVVRIPLNEHGLLDLEILEQTLKKTPNSLVSVSAASNVTGILTPLKEVSSLCKEYRAILALDLANFSAHANPKDCEYQTGFYAPHKLLGGVGGCGLLGISKDLIDTQIPPSFSAGGVIKYANRTRHEFIDELPLREEFGTPGLLQFYRSALAYQLRDECGLDFIHKKENNLLRVLVYGLKDLPAINIYGNLTASRVGVVAFNIGGISPYDLARVLSYEYAIETRAGCSCAGPYGHDLLNLNAQKSSDFNAKPGWLRVSLHFTHSINDIDYLLDSLKKAVKKLR