Study : bsu32130 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FMT_B_12(4FEZ) / Model_83(4FEZ/B) = [3.1] Download578.971.77MENVFDYEDIQLIPAKCIVNSRSECDTSVRLGGHTFKLPVVPANMQTIIDEKLAISLAENGYFYVMHRFEPETRIDFIKDMNARGLFSSISVGVKDEEYEFVRQLAEENLTPEYVTIDIAHGHSNAVIEMIQHLKKHLPDSFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAASKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESPGQTIEKDGKLYKEYFGSASEFQKGEKKNVEGKKMHVAHKGSIKDTLIEMEQDLQSSISYAGGTKLNAIRNVDYVIVKNSIFNGDKY
Complex: FMT_A_7(4FEZ) / Model_84(4FEZ/A) = [3.2] Download557.042.75MENVFDYEDIQLIPAKCIVNSRSECDTSVRLGGHTFKLPVVPANMQTIIDEKLAISLAENGYFYVMHRFEPETRIDFIKDMNARGLFSSISVGVKDEEYEFVRQLAEENLTPEYVTIDIAHGHSNAVIEMIQHLKKHLPDSFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAASKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESPGQTIEKDGKLYKEYFGSASEFQKGEKKNVEGKKMHVAHKGSIKDTLIEMEQDLQSSISYAGGTKLNAIRNVDYVIVKNSIFNGDKY
Complex: Q21_B_13(4MY8) / Model_66(4MY8/B) = [3.4] Download1618.851.04MENVFDYEDIQLIPAKCIVNSRSECDTSVRLGGHTFKLPVVPANMQTIIDEKLAISLAENGYFYVMHRFEPETRIDFIKDMNARGLFSSISVGVKDEEYEFVRQLAEENLTPEYVTIDIAHGHSNAVIEMIQHLKKHLPDSFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAASKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESPGQTIEKDGKLYKEYFGSASEFQKGEKKNVEGKKMHVAHKGSIKDTLIEMEQDLQSSISYAGGTKLNAIRNVDYVIVKNSIFNGDKY
Complex: Q21_B_18(4MY8) / Model_65(4MY8/C) = [3.5] Download1871.346.04MENVFDYEDIQLIPAKCIVNSRSECDTSVRLGGHTFKLPVVPANMQTIIDEKLAISLAENGYFYVMHRFEPETRIDFIKDMNARGLFSSISVGVKDEEYEFVRQLAEENLTPEYVTIDIAHGHSNAVIEMIQHLKKHLPDSFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAASKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESPGQTIEKDGKLYKEYFGSASEFQKGEKKNVEGKKMHVAHKGSIKDTLIEMEQDLQSSISYAGGTKLNAIRNVDYVIVKNSIFNGDKY
Complex: 2EY_B_8(4MYA) / Model_56(4MYA/B) = [3.6] Download1661.744.58MENVFDYEDIQLIPAKCIVNSRSECDTSVRLGGHTFKLPVVPANMQTIIDEKLAISLAENGYFYVMHRFEPETRIDFIKDMNARGLFSSISVGVKDEEYEFVRQLAEENLTPEYVTIDIAHGHSNAVIEMIQHLKKHLPDSFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAASKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESPGQTIEKDGKLYKEYFGSASEFQKGEKKNVEGKKMHVAHKGSIKDTLIEMEQDLQSSISYAGGTKLNAIRNVDYVIVKNSIFNGDKY
Consensus
[pKd Mean = 3.36]
-1257
(s=569)
3
(s=1)
MENVFDYEDIQLIPAKCIVNSRSECDTSVRLGGHTFKLPVVPANMQTIIDEKLAISLAENGYFYVMHRFEPETRIDFIKDMNARGLFSSISVGVKDEEYEFVRQLAEENLTPEYVTIDIAHGHSNAVIEMIQHLKKHLPDSFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAASKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESPGQTIEKDGKLYKEYFGSASEFQKGEKKNVEGKKMHVAHKGSIKDTLIEMEQDLQSSISYAGGTKLNAIRNVDYVIVKNSIFNGDKY