Study : jhp_0763 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: MPD_A_9(2TRX) / Model_120(2TRX/A) = [3.9] Download280.3973.00MSHYIELTEENFESTIKKGVALVDFWAPWCGPCKMLSPVIDELASEYEGKAKICKVNTDEQEELSAKFGIRSIPTLLFTKDGEVVHQLVGVQTKVALKEQLNKLLG
Complex: PX5_C_7(3O6T) / Model_76(3O6T/C) = [4.5] Download618.8028.27MSHYIELTEENFESTIKKGVALVDFWAPWCGPCKMLSPVIDELASEYEGKAKICKVNTDEQEELSAKFGIRSIPTLLFTKDGEVVHQLVGVQTKVALKEQLNKLLG
Complex: PX5_A_5(3O6T) / Model_78(3O6T/A) = [4.6] Download864.4628.27MSHYIELTEENFESTIKKGVALVDFWAPWCGPCKMLSPVIDELASEYEGKAKICKVNTDEQEELSAKFGIRSIPTLLFTKDGEVVHQLVGVQTKVALKEQLNKLLG
Consensus
[pKd Mean = 4.33]
-587
(s=239)
43
(s=21)
MSHYIELTEENFESTIKKGVALVDFWAPWCGPCKMLSPVIDELASEYEGKAKICKVNTDEQEELSAKFGIRSIPTLLFTKDGEVVHQLVGVQTKVALKEQLNKLLG