Study : 380_tI_SOLPN (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: DAO_E_5(2ALG) / Model_20(2ALG/A) = [3.9] Download694.8949.57LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQTACTCLKSAASSFTGLDLGKAASLPSTCSVNIPYKISPSTDCSKVQ
Complex: LPC_A_4(1BWO) / Model_24(1BWO/A) = [4.0] Download1418.9659.04LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQTACTCLKSAASSFTGLDLGKAASLPSTCSVNIPYKISPSTDCSKVQ
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [6.0] Download1049.0658.07LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQTACTCLKSAASSFTGLDLGKAASLPSTCSVNIPYKISPSTDCSKVQ
Complex: LPC_A_3(1BWO) / Model_24(1BWO/A) = [7.0] Download1858.1752.69LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQTACTCLKSAASSFTGLDLGKAASLPSTCSVNIPYKISPSTDCSKVQ
Consensus
[pKd Mean = 5.22]
-1255
(s=432)
54
(s=3)
LTCGQVTSTLAPCLPYLMNRGPLGGCCGGVKGLLGQAQTTVDRQTACTCLKSAASSFTGLDLGKAASLPSTCSVNIPYKISPSTDCSKVQ