Study : bsu10030 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: EDO_A_7(3P0T) / Model_90(3P0T/A) = [3.5] Download196.7436.56MHCAENCIFCKIIAGDIPSAKVYEDEHVLAFLDISQVTKGHTLVIPKTHIENVYEFTDELAKQYFHAVPKIARAIRDEFEPIGLNTLNNNGEKAGQSVFHYHMHIIPRYGKGDGFGAVWKTHADDYKPEDLQNISSSIAKRLASS
Complex: ADN_A_2(3O1C) / Model_97(3O1C/A) = [4.6] Download841.2824.36MHCAENCIFCKIIAGDIPSAKVYEDEHVLAFLDISQVTKGHTLVIPKTHIENVYEFTDELAKQYFHAVPKIARAIRDEFEPIGLNTLNNNGEKAGQSVFHYHMHIIPRYGKGDGFGAVWKTHADDYKPEDLQNISSSIAKRLASS
Complex: AMP_A_5(3O0M) / Model_88(3O0M/A) = [5.3] Download811.7123.57MHCAENCIFCKIIAGDIPSAKVYEDEHVLAFLDISQVTKGHTLVIPKTHIENVYEFTDELAKQYFHAVPKIARAIRDEFEPIGLNTLNNNGEKAGQSVFHYHMHIIPRYGKGDGFGAVWKTHADDYKPEDLQNISSSIAKRLASS
Complex: AMP_A_5(3O0M) / Model_5(3O0M/A) = [5.3] Download735.8823.57MHCAENCIFCKIIAGDIPSAKVYEDEHVLAFLDISQVTKGHTLVIPKTHIENVYEFTDELAKQYFHAVPKIARAIRDEFEPIGLNTLNNNGEKAGQSVFHYHMHIIPRYGKGDGFGAVWKTHADDYKPEDLQNISSSIAKRLASS
Complex: AMP_B_8(3O0M) / Model_28(3O0M/B) = [5.4] Download794.0422.50MHCAENCIFCKIIAGDIPSAKVYEDEHVLAFLDISQVTKGHTLVIPKTHIENVYEFTDELAKQYFHAVPKIARAIRDEFEPIGLNTLNNNGEKAGQSVFHYHMHIIPRYGKGDGFGAVWKTHADDYKPEDLQNISSSIAKRLASS
Consensus
[pKd Mean = 4.82]
-675
(s=242)
26
(s=5)
MHCAENCIFCKIIAGDIPSAKVYEDEHVLAFLDISQVTKGHTLVIPKTHIENVYEFTDELAKQYFHAVPKIARAIRDEFEPIGLNTLNNNGEKAGQSVFHYHMHIIPRYGKGDGFGAVWKTHADDYKPEDLQNISSSIAKRLASS