Study : bsu09650 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: EDO_B_9(4UU8) / Model_54(4UU8/B) = [3.1] Download511.6917.47METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAGGIWTEDASRMEAMSLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAGSRHVYELHGSIQTAACPACGARYDLPHLLEREVPECTAAGNNGDICGTVLKTDVVLFGDAVMHFDTLYEKLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK
Complex: EDO_B_8(4UTN) / Model_56(4UTN/B) = [3.1] Download552.9215.21METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAGGIWTEDASRMEAMSLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAGSRHVYELHGSIQTAACPACGARYDLPHLLEREVPECTAAGNNGDICGTVLKTDVVLFGDAVMHFDTLYEKLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK
Complex: EDO_B_9(4UUA) / Model_53(4UUA/B) = [3.1] Download523.9015.21METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAGGIWTEDASRMEAMSLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAGSRHVYELHGSIQTAACPACGARYDLPHLLEREVPECTAAGNNGDICGTVLKTDVVLFGDAVMHFDTLYEKLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK
Complex: NCA_A_4(1YC5) / Model_113(1YC5/A) = [3.2] Download498.4425.65METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAGGIWTEDASRMEAMSLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAGSRHVYELHGSIQTAACPACGARYDLPHLLEREVPECTAAGNNGDICGTVLKTDVVLFGDAVMHFDTLYEKLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK
Complex: NCA_A_4(1YC5) / Model_4(1YC5/A) = [3.4] Download432.7529.64METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAGGIWTEDASRMEAMSLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAGSRHVYELHGSIQTAACPACGARYDLPHLLEREVPECTAAGNNGDICGTVLKTDVVLFGDAVMHFDTLYEKLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK
Consensus
[pKd Mean = 3.18]
-503
(s=39)
20
(s=5)
METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAGGIWTEDASRMEAMSLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAGSRHVYELHGSIQTAACPACGARYDLPHLLEREVPECTAAGNNGDICGTVLKTDVVLFGDAVMHFDTLYEKLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK