Study : PA1869 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: PSR_A_11(1L0I) / Model_17(1L0I/A) = [3.1] Download1174.8929.89MDDIETRVRKLVAARFGVEECDIRLDSDFRNDFGAESLEVVELVMALEAEFGVEIADDDAERIETVRQAIDYLEEAVPT
Complex: PSR_A_11(1L0I) / Model_65(1L0I/A) = [3.1] Download1202.1729.89MDDIETRVRKLVAARFGVEECDIRLDSDFRNDFGAESLEVVELVMALEAEFGVEIADDDAERIETVRQAIDYLEEAVPT
Complex: PM5_B_13(2FAD) / Model_52(2FAD/B) = [3.3] Download1365.8631.33MDDIETRVRKLVAARFGVEECDIRLDSDFRNDFGAESLEVVELVMALEAEFGVEIADDDAERIETVRQAIDYLEEAVPT
Complex: IMD_A_14(1T8K) / Model_56(1T8K/A) = [3.7] Download572.3219.17MDDIETRVRKLVAARFGVEECDIRLDSDFRNDFGAESLEVVELVMALEAEFGVEIADDDAERIETVRQAIDYLEEAVPT
Complex: IMD_A_16(1T8K) / Model_56(1T8K/A) = [3.9] Download404.2824.25MDDIETRVRKLVAARFGVEECDIRLDSDFRNDFGAESLEVVELVMALEAEFGVEIADDDAERIETVRQAIDYLEEAVPT
Consensus
[pKd Mean = 3.42]
-943
(s=381)
26
(s=4)
MDDIETRVRKLVAARFGVEECDIRLDSDFRNDFGAESLEVVELVMALEAEFGVEIADDDAERIETVRQAIDYLEEAVPT