Study : jhp_0524 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: IMD_B_7(3L07) / Model_21(3L07/B) = [3.7] Download580.2450.08MPNRGVVLLDGQALAYNIEKDLKNKIQIITAQTHKRPKLAVILVGKDPASITYVNMKIKACQRVGMDFDLKTLKENITEAELLSLIKDYNTDQNISGILVQLPLPRSIDTKMILEAIDPNKDVDGFHPLNIGKLCTQKESFLPATPMGVMRLLEHYHIEIKGKDVAIIGASNIIGKPLSMLMLNAGASVSVCHILTKDISFYTKNADIVCVGVGKPDLIKASMLKKGAVVVDIGINHLNDGRIVGDVDFINAQKIAGFITPVPKGVGPMTIVSLLENTLIAFEKQQRKGF
Complex: IMD_A_4(3L07) / Model_36(3L07/A) = [3.8] Download632.2347.64MPNRGVVLLDGQALAYNIEKDLKNKIQIITAQTHKRPKLAVILVGKDPASITYVNMKIKACQRVGMDFDLKTLKENITEAELLSLIKDYNTDQNISGILVQLPLPRSIDTKMILEAIDPNKDVDGFHPLNIGKLCTQKESFLPATPMGVMRLLEHYHIEIKGKDVAIIGASNIIGKPLSMLMLNAGASVSVCHILTKDISFYTKNADIVCVGVGKPDLIKASMLKKGAVVVDIGINHLNDGRIVGDVDFINAQKIAGFITPVPKGVGPMTIVSLLENTLIAFEKQQRKGF
Complex: IMD_A_4(3L07) / Model_3(3L07/A) = [3.8] Download575.7947.64MPNRGVVLLDGQALAYNIEKDLKNKIQIITAQTHKRPKLAVILVGKDPASITYVNMKIKACQRVGMDFDLKTLKENITEAELLSLIKDYNTDQNISGILVQLPLPRSIDTKMILEAIDPNKDVDGFHPLNIGKLCTQKESFLPATPMGVMRLLEHYHIEIKGKDVAIIGASNIIGKPLSMLMLNAGASVSVCHILTKDISFYTKNADIVCVGVGKPDLIKASMLKKGAVVVDIGINHLNDGRIVGDVDFINAQKIAGFITPVPKGVGPMTIVSLLENTLIAFEKQQRKGF
Complex: L37_A_6(1DIG) / Model_13(1DIG/A) = [3.9] Download1991.1430.13MPNRGVVLLDGQALAYNIEKDLKNKIQIITAQTHKRPKLAVILVGKDPASITYVNMKIKACQRVGMDFDLKTLKENITEAELLSLIKDYNTDQNISGILVQLPLPRSIDTKMILEAIDPNKDVDGFHPLNIGKLCTQKESFLPATPMGVMRLLEHYHIEIKGKDVAIIGASNIIGKPLSMLMLNAGASVSVCHILTKDISFYTKNADIVCVGVGKPDLIKASMLKKGAVVVDIGINHLNDGRIVGDVDFINAQKIAGFITPVPKGVGPMTIVSLLENTLIAFEKQQRKGF
Complex: 9L9_B_9(4B4W) / Model_22(4B4W/B) = [4.6] Download1470.8537.94MPNRGVVLLDGQALAYNIEKDLKNKIQIITAQTHKRPKLAVILVGKDPASITYVNMKIKACQRVGMDFDLKTLKENITEAELLSLIKDYNTDQNISGILVQLPLPRSIDTKMILEAIDPNKDVDGFHPLNIGKLCTQKESFLPATPMGVMRLLEHYHIEIKGKDVAIIGASNIIGKPLSMLMLNAGASVSVCHILTKDISFYTKNADIVCVGVGKPDLIKASMLKKGAVVVDIGINHLNDGRIVGDVDFINAQKIAGFITPVPKGVGPMTIVSLLENTLIAFEKQQRKGF
Consensus
[pKd Mean = 3.96]
-1050
(s=580)
42
(s=7)
MPNRGVVLLDGQALAYNIEKDLKNKIQIITAQTHKRPKLAVILVGKDPASITYVNMKIKACQRVGMDFDLKTLKENITEAELLSLIKDYNTDQNISGILVQLPLPRSIDTKMILEAIDPNKDVDGFHPLNIGKLCTQKESFLPATPMGVMRLLEHYHIEIKGKDVAIIGASNIIGKPLSMLMLNAGASVSVCHILTKDISFYTKNADIVCVGVGKPDLIKASMLKKGAVVVDIGINHLNDGRIVGDVDFINAQKIAGFITPVPKGVGPMTIVSLLENTLIAFEKQQRKGF