Study : 226_tI_CAPAN (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: DAO_E_5(2ALG) / Model_12(2ALG/A) = [3.9] Download746.9642.42LTCGQVAGDLAACLPYLQGSGPLGSCCGGVRALLGAAKTPADRKTACTCLKSAANAIKGINLSKAAGLPTACGVNIPYKISPSTDCSTVQ
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [4.3] Download1206.2756.12LTCGQVAGDLAACLPYLQGSGPLGSCCGGVRALLGAAKTPADRKTACTCLKSAANAIKGINLSKAAGLPTACGVNIPYKISPSTDCSTVQ
Complex: OLA_A_2(1FK5) / Model_31(1FK5/A) = [5.6] Download1067.9751.46LTCGQVAGDLAACLPYLQGSGPLGSCCGGVRALLGAAKTPADRKTACTCLKSAANAIKGINLSKAAGLPTACGVNIPYKISPSTDCSTVQ
Consensus
[pKd Mean = 4.60]
-1007
(s=192)
50
(s=5)
LTCGQVAGDLAACLPYLQGSGPLGSCCGGVRALLGAAKTPADRKTACTCLKSAANAIKGINLSKAAGLPTACGVNIPYKISPSTDCSTVQ