Study : jhp_1421 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: FAD_D_13(3N3Y) / Model_23(3N3Y/B) = [6.4] Download706.66-8.79MEVICKHYTPLDIASQAIRTCWQSFEYSDDGGCKDRDLIHRVGNIFRHSSTLEHLYYNFEIKGLSRGALQELSRHRIASLSVKSSRYTLRELKEVESFLPLNETNLERAKEFLVFVDDEKVNEMSVLALENLRVLLSEHNIKNDLAKYAMPESYKTHLAYSINARSLQNLLTLRSSNKALKEMQDLAKALFDALPYEHQYLFEDCLKH
Complex: FAD_C_11(3N3Y) / Model_1(3N3Y/A) = [6.8] Download723.01-8.81MEVICKHYTPLDIASQAIRTCWQSFEYSDDGGCKDRDLIHRVGNIFRHSSTLEHLYYNFEIKGLSRGALQELSRHRIASLSVKSSRYTLRELKEVESFLPLNETNLERAKEFLVFVDDEKVNEMSVLALENLRVLLSEHNIKNDLAKYAMPESYKTHLAYSINARSLQNLLTLRSSNKALKEMQDLAKALFDALPYEHQYLFEDCLKH
Complex: FAD_C_11(3N3Y) / Model_29(3N3Y/A) = [6.8] Download716.90-8.81MEVICKHYTPLDIASQAIRTCWQSFEYSDDGGCKDRDLIHRVGNIFRHSSTLEHLYYNFEIKGLSRGALQELSRHRIASLSVKSSRYTLRELKEVESFLPLNETNLERAKEFLVFVDDEKVNEMSVLALENLRVLLSEHNIKNDLAKYAMPESYKTHLAYSINARSLQNLLTLRSSNKALKEMQDLAKALFDALPYEHQYLFEDCLKH
Complex: FAD_D_13(3N3Y) / Model_21(3N3Y/D) = [7.8] Download774.671.89MEVICKHYTPLDIASQAIRTCWQSFEYSDDGGCKDRDLIHRVGNIFRHSSTLEHLYYNFEIKGLSRGALQELSRHRIASLSVKSSRYTLRELKEVESFLPLNETNLERAKEFLVFVDDEKVNEMSVLALENLRVLLSEHNIKNDLAKYAMPESYKTHLAYSINARSLQNLLTLRSSNKALKEMQDLAKALFDALPYEHQYLFEDCLKH
Consensus
[pKd Mean = 6.95]
-730
(s=26)
-6
(s=4)
MEVICKHYTPLDIASQAIRTCWQSFEYSDDGGCKDRDLIHRVGNIFRHSSTLEHLYYNFEIKGLSRGALQELSRHRIASLSVKSSRYTLRELKEVESFLPLNETNLERAKEFLVFVDDEKVNEMSVLALENLRVLLSEHNIKNDLAKYAMPESYKTHLAYSINARSLQNLLTLRSSNKALKEMQDLAKALFDALPYEHQYLFEDCLKH