Study : 390_tI_SPIOL (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_26(1BWO/A) = [3.9] Download1329.3538.58GITCGMVSSKLAPCIGYLKGGPLGGGCCGGIKALNAAAATTPDRKTACNCLKSAANAIKGINYGKAAGLPGMCGVHIPYAISPSTNCNAVH
Complex: DAO_E_5(2ALG) / Model_22(2ALG/A) = [4.0] Download783.2033.71GITCGMVSSKLAPCIGYLKGGPLGGGCCGGIKALNAAAATTPDRKTACNCLKSAANAIKGINYGKAAGLPGMCGVHIPYAISPSTNCNAVH
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.2] Download1046.1141.77GITCGMVSSKLAPCIGYLKGGPLGGGCCGGIKALNAAAATTPDRKTACNCLKSAANAIKGINYGKAAGLPGMCGVHIPYAISPSTNCNAVH
Consensus
[pKd Mean = 4.37]
-1052
(s=223)
38
(s=3)
GITCGMVSSKLAPCIGYLKGGPLGGGCCGGIKALNAAAATTPDRKTACNCLKSAANAIKGINYGKAAGLPGMCGVHIPYAISPSTNCNAVH