Study : A3SHE0_ROSNI (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: ADP_A_2(4DCA) / Model_16(4DCA/A) = [3.3] Download1317.8532.45MPLGPEGVTRGWLGAALGRDVSDLRLVRVGVDEGFTGTRLYRAEIGGGASVIVKLASEDAALRARFAAENAREVAFYHHYAEGLPVPRCYHAASDAEAGASVVVLEDLGGARSVPFVTGLSRDEAEAAVRALARCHAAHWGAAGLADLPGASVAQELGFAACWDGYAQALQGLLPGADLSPEVLALGAAMARDAAAVLGPILDDGVLTLRHGDVQADNLMFDGPGAVLLDWQFMARGRGGSDLAYLLISSLEPEVRRAHEAALIACYLNALQEQGIAYEHAALWRDYRRGVAVKLLMSVVATVGMDNQGAAKQAWRRADLARLLAFAADHGAGEAA
Complex: ADP_A_6(2OLC) / Model_36(2OLC/A) = [3.4] Download989.2621.88MPLGPEGVTRGWLGAALGRDVSDLRLVRVGVDEGFTGTRLYRAEIGGGASVIVKLASEDAALRARFAAENAREVAFYHHYAEGLPVPRCYHAASDAEAGASVVVLEDLGGARSVPFVTGLSRDEAEAAVRALARCHAAHWGAAGLADLPGASVAQELGFAACWDGYAQALQGLLPGADLSPEVLALGAAMARDAAAVLGPILDDGVLTLRHGDVQADNLMFDGPGAVLLDWQFMARGRGGSDLAYLLISSLEPEVRRAHEAALIACYLNALQEQGIAYEHAALWRDYRRGVAVKLLMSVVATVGMDNQGAAKQAWRRADLARLLAFAADHGAGEAA
Consensus
[pKd Mean = 3.35]
-1153
(s=164)
27
(s=5)
MPLGPEGVTRGWLGAALGRDVSDLRLVRVGVDEGFTGTRLYRAEIGGGASVIVKLASEDAALRARFAAENAREVAFYHHYAEGLPVPRCYHAASDAEAGASVVVLEDLGGARSVPFVTGLSRDEAEAAVRALARCHAAHWGAAGLADLPGASVAQELGFAACWDGYAQALQGLLPGADLSPEVLALGAAMARDAAAVLGPILDDGVLTLRHGDVQADNLMFDGPGAVLLDWQFMARGRGGSDLAYLLISSLEPEVRRAHEAALIACYLNALQEQGIAYEHAALWRDYRRGVAVKLLMSVVATVGMDNQGAAKQAWRRADLARLLAFAADHGAGEAA