Study : 375_tI_SOLCI (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] : 4 (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_2(2ALG/A) = [3.9] Download753.8849.57LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQAACACLKSAASSFTDLDLGKAASLPSTCNVNIPYKISPSTDCSKVQ
Complex: LPC_A_4(1BWO) / Model_6(1BWO/A) = [4.0] Download1353.9559.04LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQAACACLKSAASSFTDLDLGKAASLPSTCNVNIPYKISPSTDCSKVQ
Complex: OLA_A_2(1FK5) / Model_32(1FK5/A) = [6.0] Download961.3558.07LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQAACACLKSAASSFTDLDLGKAASLPSTCNVNIPYKISPSTDCSKVQ
Complex: LPC_A_3(1BWO) / Model_6(1BWO/A) = [6.6] Download1866.3452.69LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQAACACLKSAASSFTDLDLGKAASLPSTCNVNIPYKISPSTDCSKVQ
Consensus
[pKd Mean = 5.12]
-1233
(s=423)
54
(s=3)
LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQAACACLKSAASSFTDLDLGKAASLPSTCNVNIPYKISPSTDCSKVQ