Study : Rv0114 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: HSO_B_11(2FPU) / Model_26(2FPU/B) = [3.1] Download547.2632.35MVAERAGHQWCLFLDRDGVINRQVVGDYVRNWRQFEWLPGAARALKKLRAWAPYIVVVTNQQGVGAGLMSAVDVMVIHRHLQMQLASDGVLIDGFQVCPHHRSQRCGCRKPRPGLVLDWLGRHPDSEPLLSIVVGDSLSDLELAHNVAAAAGACASVQIGGASSGGVADASFDSLWEFAVAVGHARGERG
Complex: GMB_A_5(3L8G) / Model_8(3L8G/A) = [3.1] Download772.7912.83MVAERAGHQWCLFLDRDGVINRQVVGDYVRNWRQFEWLPGAARALKKLRAWAPYIVVVTNQQGVGAGLMSAVDVMVIHRHLQMQLASDGVLIDGFQVCPHHRSQRCGCRKPRPGLVLDWLGRHPDSEPLLSIVVGDSLSDLELAHNVAAAAGACASVQIGGASSGGVADASFDSLWEFAVAVGHARGERG
Consensus
[pKd Mean = 3.10]
-660
(s=112)
22
(s=9)
MVAERAGHQWCLFLDRDGVINRQVVGDYVRNWRQFEWLPGAARALKKLRAWAPYIVVVTNQQGVGAGLMSAVDVMVIHRHLQMQLASDGVLIDGFQVCPHHRSQRCGCRKPRPGLVLDWLGRHPDSEPLLSIVVGDSLSDLELAHNVAAAAGACASVQIGGASSGGVADASFDSLWEFAVAVGHARGERG