Study : 299_tI_TOBAC (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_11(2ALG/A) = [3.9] Download705.7642.82ITCGQVTSNLAPCLAYLRNTGPLGRCCGGVKALVNSARTTEDRQIACTCLKSAAGAISGINLGKAAGLPSTCGVNIPYKISPSTDCSKVQ
Complex: OLA_A_2(1FK5) / Model_31(1FK5/A) = [4.2] Download1114.2146.63ITCGQVTSNLAPCLAYLRNTGPLGRCCGGVKALVNSARTTEDRQIACTCLKSAAGAISGINLGKAAGLPSTCGVNIPYKISPSTDCSKVQ
Complex: LPC_A_4(1BWO) / Model_15(1BWO/A) = [4.4] Download1433.8748.85ITCGQVTSNLAPCLAYLRNTGPLGRCCGGVKALVNSARTTEDRQIACTCLKSAAGAISGINLGKAAGLPSTCGVNIPYKISPSTDCSKVQ
Complex: LPC_A_3(1BWO) / Model_15(1BWO/A) = [7.0] Download1811.4542.29ITCGQVTSNLAPCLAYLRNTGPLGRCCGGVKALVNSARTTEDRQIACTCLKSAAGAISGINLGKAAGLPSTCGVNIPYKISPSTDCSKVQ
Consensus
[pKd Mean = 4.88]
-1266
(s=407)
45
(s=2)
ITCGQVTSNLAPCLAYLRNTGPLGRCCGGVKALVNSARTTEDRQIACTCLKSAAGAISGINLGKAAGLPSTCGVNIPYKISPSTDCSKVQ