Study : bsu30490 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: SAH_A_3(3LBY) / Model_4(3LBY/A) = [7.5] Download1028.4525.23MILKKILPYSKELLKMAAGEGDIVVDATMGNGHDTQFLAELVGENGHVYAFDIQESAVANTKERLGDMYQARTTLFHKSHDKIAESLPPETHGKVAAAVFNLGYLPGGDKSITTNGSSTIKAIEQLLSIMKDEGLIVLVVYHGHPEGKAEKNDVLEFCRDLDQQTARVLTYGFINQQNDPPFIVAIEKKAQISK
Complex: SAM_A_3(4POO) / Model_2(4POO/A) = [9.3] Download654.9718.76MILKKILPYSKELLKMAAGEGDIVVDATMGNGHDTQFLAELVGENGHVYAFDIQESAVANTKERLGDMYQARTTLFHKSHDKIAESLPPETHGKVAAAVFNLGYLPGGDKSITTNGSSTIKAIEQLLSIMKDEGLIVLVVYHGHPEGKAEKNDVLEFCRDLDQQTARVLTYGFINQQNDPPFIVAIEKKAQISK
Consensus
[pKd Mean = 8.40]
-841
(s=186)
21
(s=3)
MILKKILPYSKELLKMAAGEGDIVVDATMGNGHDTQFLAELVGENGHVYAFDIQESAVANTKERLGDMYQARTTLFHKSHDKIAESLPPETHGKVAAAVFNLGYLPGGDKSITTNGSSTIKAIEQLLSIMKDEGLIVLVVYHGHPEGKAEKNDVLEFCRDLDQQTARVLTYGFINQQNDPPFIVAIEKKAQISK