Study : 772_tI_MEDTR (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: LPC_A_4(1BWO) / Model_24(1BWO/A) = [3.5] Download1773.6651.22VTCGQVVGFLTPCITYLQGGPGPSAACCGGVKKLNGAANTGPARKTACNCLKRAAGNIARLNNNQAAALPGKCGVNIPYKFSTSTNCNSIRF
Complex: DAO_E_5(2ALG) / Model_20(2ALG/A) = [4.6] Download720.0829.48VTCGQVVGFLTPCITYLQGGPGPSAACCGGVKKLNGAANTGPARKTACNCLKRAAGNIARLNNNQAAALPGKCGVNIPYKFSTSTNCNSIRF
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.2] Download1142.8641.59VTCGQVVGFLTPCITYLQGGPGPSAACCGGVKKLNGAANTGPARKTACNCLKRAAGNIARLNNNQAAALPGKCGVNIPYKFSTSTNCNSIRF
Consensus
[pKd Mean = 4.43]
-1212
(s=432)
40
(s=8)
VTCGQVVGFLTPCITYLQGGPGPSAACCGGVKKLNGAANTGPARKTACNCLKRAAGNIARLNNNQAAALPGKCGVNIPYKFSTSTNCNSIRF