Study : bsu22770 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C16_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 C16_S1
Complex: TRP_K_12(1QAW) / Model_111(1QAW/K) = [3.2] Download281.0515.00MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Complex: TRP_D_20(2ZP8) / Model_82(2ZP8/D) = [3.3] Download922.503.40MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Complex: TRP_F_12(4B27) / Model_42(4B27/F) = [3.4] Download852.253.19MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Complex: TRP_F_12(2ZCZ) / Model_85(2ZCZ/F) = [3.4] Download993.313.40MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Complex: TRP_B_8(4B27) / Model_2(4B27/A) = [3.4] Download332.5615.00MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Consensus
[pKd Mean = 3.34]
-676
(s=305)
7
(s=5)
MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK