Study : 377_tI_SOLLC (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: DAO_E_5(2ALG) / Model_12(2ALG/A) = [3.9] Download837.9642.42LTCGQVTAGLAPCLPYLQGRGPLGGCCGGVKNLLGSAKTTADRKTACTCLKSAANAIKGIDLNKAAGIPSVCKVNIPYKISPSTDCSTVQ
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [4.4] Download1586.1151.23LTCGQVTAGLAPCLPYLQGRGPLGGCCGGVKNLLGSAKTTADRKTACTCLKSAANAIKGIDLNKAAGIPSVCKVNIPYKISPSTDCSTVQ
Complex: OLA_A_2(1FK5) / Model_32(1FK5/A) = [4.7] Download1004.9947.65LTCGQVTAGLAPCLPYLQGRGPLGGCCGGVKNLLGSAKTTADRKTACTCLKSAANAIKGIDLNKAAGIPSVCKVNIPYKISPSTDCSTVQ
Complex: LPC_A_3(1BWO) / Model_16(1BWO/A) = [6.9] Download1661.4242.07LTCGQVTAGLAPCLPYLQGRGPLGGCCGGVKNLLGSAKTTADRKTACTCLKSAANAIKGIDLNKAAGIPSVCKVNIPYKISPSTDCSTVQ
Consensus
[pKd Mean = 4.97]
-1272
(s=357)
45
(s=3)
LTCGQVTAGLAPCLPYLQGRGPLGGCCGGVKNLLGSAKTTADRKTACTCLKSAANAIKGIDLNKAAGIPSVCKVNIPYKISPSTDCSTVQ