Study : Wbm0248 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: TYR_C_3(1Y42) / Model_31(1Y42/X) = [3.2] Download6504.8231.19MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDREQNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKLNLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESLKNQEINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS
Complex: TYR_C_3(1Y42) / Model_27(1Y42/X) = [3.2] Download8603.9831.68MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDREQNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKLNLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESLKNQEINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS
Complex: TYR_E_5(1X8X) / Model_8(1X8X/A) = [3.2] Download5480.3632.20MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDREQNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKLNLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESLKNQEINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS
Complex: TYR_S_3(1TYD) / Model_10(1TYD/E) = [3.4] Download5547.8232.90MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDREQNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKLNLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESLKNQEINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS
Complex: TYR_X_2(4OJM) / Model_26(4OJM/X) = [3.4] Download8496.0831.42MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDREQNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKLNLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESLKNQEINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS
Consensus
[pKd Mean = 3.28]
-6926
(s=1374)
31
(s=1)
MKHKSEFLNFIQERGYLCQCTNIEGLDQLLLQNNYVVAYIGFDCTASSLHVGSLIQIMMLRHLQKFGYKPIVLLGGSTTKIGDPSGKDKARSVLPIEDINQNISGIKKALKKMVYFNDGKAGAIIVNNADWLDSIKYIDFLRDIGAHFSVNRMLSFDSAKTRLDREQNLSFLEFNYMLLQAYDFAELNKKYGCRLQIGGSDQWGNIVNGIELGKKLNLPELFGLTTPLLLSAQGKKMGKTESGTVWLDGDMLKPYDYWQYFRNIDDQDIGRFLRFFTDLPIDEIKKLESLKNQEINEAKKALATEVTKICHGDKEAELAQSSAVSVFENGDSSLLPDYTITKKQVANGISLIDLLHDIGLEPSKGAAKRLIQGNGCKVNDYTINDINYIINSKSFKDQSFIKLSAGKKRHIKVMVS