Study : PA3270 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: COA_A_5(1YRE) / Model_42(1YRE/A) = [8.5] Download1754.9825.61MSRRAPMFKPLPITLQRGALRLEPLVEADIPELVSLAEANREALQYMDGPTRPDWYRQSLAEQREGRALPLAVRLGVQLVGTTRFAEFLPALPACEIGWTWLDQAQHGSGLNRMIKYLMLKHAFDNLRMVRVQLSTAASNLRAQGAIDKLGAQREGVLRNHRRLAGGRLDDTFVYSITDHEWPQVKAALEASFTG
Consensus
[pKd Mean = 8.50]
-1754
(s=0)
25
(s=0)
MSRRAPMFKPLPITLQRGALRLEPLVEADIPELVSLAEANREALQYMDGPTRPDWYRQSLAEQREGRALPLAVRLGVQLVGTTRFAEFLPALPACEIGWTWLDQAQHGSGLNRMIKYLMLKHAFDNLRMVRVQLSTAASNLRAQGAIDKLGAQREGVLRNHRRLAGGRLDDTFVYSITDHEWPQVKAALEASFTG