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_B_5(2EXS) / Model_5(2EXS/A) = [3.4] Download189.1215.00MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Complex: TRP_H_20(1QAW) / Model_114(1QAW/H) = [3.4] Download387.8815.00MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Complex: TRP_C_9(4B27) / Model_46(4B27/B) = [3.4] Download329.2115.00MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK
Consensus
[pKd Mean = 3.34]
-421
(s=258)
12
(s=4)
MNQKHSSDFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKVRGEALIQTAYGEMKSEKK