Study : 296_tI_TOBAC (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: LPC_A_4(1BWO) / Model_18(1BWO/A) = [3.1] Download1327.8059.08LTCGQVQSSLAPCVPYLLGRGPLGGCCGGVKRLLGAARTPADRKTACNCLKSAANTFKGIDMGNAARLPGTCGVNIPYKISPSTDCSKVQ
Complex: DAO_E_5(2ALG) / Model_16(2ALG/A) = [3.9] Download778.1342.33LTCGQVQSSLAPCVPYLLGRGPLGGCCGGVKRLLGAARTPADRKTACNCLKSAANTFKGIDMGNAARLPGTCGVNIPYKISPSTDCSKVQ
Complex: OLA_A_2(1FK5) / Model_9(1FK5/A) = [5.7] Download1086.3348.93LTCGQVQSSLAPCVPYLLGRGPLGGCCGGVKRLLGAARTPADRKTACNCLKSAANTFKGIDMGNAARLPGTCGVNIPYKISPSTDCSKVQ
Consensus
[pKd Mean = 4.23]
-1064
(s=224)
50
(s=6)
LTCGQVQSSLAPCVPYLLGRGPLGGCCGGVKRLLGAARTPADRKTACNCLKSAANTFKGIDMGNAARLPGTCGVNIPYKISPSTDCSKVQ