Study : 774_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] : 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_1(2ALG/A) = [3.8] Download701.8334.38AITCGTVTGSLAPCIGYLKGGSGPSAACCGGVKRLNSAATTTPDRQAACNCLKSAAGAISGLNPNIAAGLPGKCGVNIPYKISTSTNCATIRA
Complex: LPC_A_4(1BWO) / Model_6(1BWO/A) = [3.9] Download1173.0744.59AITCGTVTGSLAPCIGYLKGGSGPSAACCGGVKRLNSAATTTPDRQAACNCLKSAAGAISGLNPNIAAGLPGKCGVNIPYKISTSTNCATIRA
Complex: OLA_A_2(1FK5) / Model_30(1FK5/A) = [5.5] Download1220.4239.46AITCGTVTGSLAPCIGYLKGGSGPSAACCGGVKRLNSAATTTPDRQAACNCLKSAAGAISGLNPNIAAGLPGKCGVNIPYKISTSTNCATIRA
Complex: LPC_A_3(1BWO) / Model_6(1BWO/A) = [6.5] Download1730.4339.34AITCGTVTGSLAPCIGYLKGGSGPSAACCGGVKRLNSAATTTPDRQAACNCLKSAAGAISGLNPNIAAGLPGKCGVNIPYKISTSTNCATIRA
Consensus
[pKd Mean = 4.92]
-1206
(s=364)
39
(s=3)
AITCGTVTGSLAPCIGYLKGGSGPSAACCGGVKRLNSAATTTPDRQAACNCLKSAAGAISGLNPNIAAGLPGKCGVNIPYKISTSTNCATIRA