Study : bsu06540 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: LYS_E_13(2ZNZ) / Model_24(2ZNZ/E) = [3.1] Download4536.5616.62MDDTDLQILSHLQRNGRLTMVELGKLVGLSSPSAAERVRKLEDKGVITGYSANICYEKLNKHVTAFILMEPKSCKHYAAFATSHPDVAENHRITGMYSYVTKVVTESVHTLEDFIDTSMAHGKPTTLVVLSSSSCHPAF
Complex: LYS_H_16(2ZNZ) / Model_21(2ZNZ/H) = [3.2] Download4498.3718.16MDDTDLQILSHLQRNGRLTMVELGKLVGLSSPSAAERVRKLEDKGVITGYSANICYEKLNKHVTAFILMEPKSCKHYAAFATSHPDVAENHRITGMYSYVTKVVTESVHTLEDFIDTSMAHGKPTTLVVLSSSSCHPAF
Complex: LYS_F_14(2ZNZ) / Model_23(2ZNZ/F) = [3.2] Download4016.5319.18MDDTDLQILSHLQRNGRLTMVELGKLVGLSSPSAAERVRKLEDKGVITGYSANICYEKLNKHVTAFILMEPKSCKHYAAFATSHPDVAENHRITGMYSYVTKVVTESVHTLEDFIDTSMAHGKPTTLVVLSSSSCHPAF
Complex: LYS_C_11(2ZNZ) / Model_26(2ZNZ/C) = [3.3] Download3731.9413.84MDDTDLQILSHLQRNGRLTMVELGKLVGLSSPSAAERVRKLEDKGVITGYSANICYEKLNKHVTAFILMEPKSCKHYAAFATSHPDVAENHRITGMYSYVTKVVTESVHTLEDFIDTSMAHGKPTTLVVLSSSSCHPAF
Complex: LYS_B_10(2ZNZ) / Model_27(2ZNZ/B) = [3.3] Download3994.3615.73MDDTDLQILSHLQRNGRLTMVELGKLVGLSSPSAAERVRKLEDKGVITGYSANICYEKLNKHVTAFILMEPKSCKHYAAFATSHPDVAENHRITGMYSYVTKVVTESVHTLEDFIDTSMAHGKPTTLVVLSSSSCHPAF
Consensus
[pKd Mean = 3.22]
-4155
(s=312)
16
(s=1)
MDDTDLQILSHLQRNGRLTMVELGKLVGLSSPSAAERVRKLEDKGVITGYSANICYEKLNKHVTAFILMEPKSCKHYAAFATSHPDVAENHRITGMYSYVTKVVTESVHTLEDFIDTSMAHGKPTTLVVLSSSSCHPAF