Study : PA5521 (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_G_7(2BD0) / Model_102(2BD0/C) = [11.8] Download1313.2330.95MSTPVVLITGAAGGLGRAIAKRFAQSHWRIAATDVDKEGLHALNAQVPLDASGVADLRSADNCHTLMSKILARTGRLDALVNAAGVWREGPVENFTEEDFDLVLGVNLKASFYMCQAAIPYLKENQGSIVNISSDSGRQAYRGSAAYCASKAALTMLSKTLALELAEQGVRVNAVSPADIATPMLDYQAERYGMGNPDGYKRALLKDYPQGKAARFIRPEEVAELVWYLCGPQAEAITGADLAVDFGLSAGR
Consensus
[pKd Mean = 11.80]
-1313
(s=0)
30
(s=0)
MSTPVVLITGAAGGLGRAIAKRFAQSHWRIAATDVDKEGLHALNAQVPLDASGVADLRSADNCHTLMSKILARTGRLDALVNAAGVWREGPVENFTEEDFDLVLGVNLKASFYMCQAAIPYLKENQGSIVNISSDSGRQAYRGSAAYCASKAALTMLSKTLALELAEQGVRVNAVSPADIATPMLDYQAERYGMGNPDGYKRALLKDYPQGKAARFIRPEEVAELVWYLCGPQAEAITGADLAVDFGLSAGR