Study : bsu17350 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: ACY_B_8(3KVP) / Model_10(3KVP/F) = [3.1] Download388.8739.33MFESEAELRRIRIALVWIAVFLLFGACGNQDTIIETDNGNSDYETPQPTSFPLEHNHFGVMEDGYIKIYEYNESRNEVKLKKEYADDELE
Complex: ACY_B_8(3KVP) / Model_12(3KVP/B) = [3.2] Download148.3233.60MFESEAELRRIRIALVWIAVFLLFGACGNQDTIIETDNGNSDYETPQPTSFPLEHNHFGVMEDGYIKIYEYNESRNEVKLKKEYADDELE
Consensus
[pKd Mean = 3.15]
-268
(s=120)
36
(s=2)
MFESEAELRRIRIALVWIAVFLLFGACGNQDTIIETDNGNSDYETPQPTSFPLEHNHFGVMEDGYIKIYEYNESRNEVKLKKEYADDELE