Study : 394_tI_VIGRA (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: LPC_A_4(1BWO) / Model_26(1BWO/A) = [3.2] Download1302.7852.63ITCGQVASSLAPCISYLQKGGVPSASCCSGVKALNSAASTTADRKTACNCLKNLAGPKSGINEGNAASLPGKCKVNVPYKISTFTNCANIK
Complex: DAO_E_5(2ALG) / Model_21(2ALG/A) = [3.7] Download810.5526.84ITCGQVASSLAPCISYLQKGGVPSASCCSGVKALNSAASTTADRKTACNCLKNLAGPKSGINEGNAASLPGKCKVNVPYKISTFTNCANIK
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.3] Download1065.0944.81ITCGQVASSLAPCISYLQKGGVPSASCCSGVKALNSAASTTADRKTACNCLKNLAGPKSGINEGNAASLPGKCKVNVPYKISTFTNCANIK
Complex: LPC_A_3(1BWO) / Model_26(1BWO/A) = [6.2] Download1830.5432.97ITCGQVASSLAPCISYLQKGGVPSASCCSGVKALNSAASTTADRKTACNCLKNLAGPKSGINEGNAASLPGKCKVNVPYKISTFTNCANIK
Consensus
[pKd Mean = 4.60]
-1252
(s=376)
39
(s=10)
ITCGQVASSLAPCISYLQKGGVPSASCCSGVKALNSAASTTADRKTACNCLKNLAGPKSGINEGNAASLPGKCKVNVPYKISTFTNCANIK