Study : PF00061_RABP2_MOUSE (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: LSR_A_3(3F8A) / Model_36(3F8A/A) = [3.1] Download918.0536.61MPNFSGNWKIIRSENFEEMLKALGVNMMMRKIAVAAASKPAVEIKQENDTFYIKTSTTVRTTEINFKIGEEFEEQTVDGRPCKSLVKWESGNKMVCEQRLLKGEGPKTSWSRELTNDGELILTMTADDVVCTRVYVRE
Complex: LSR_A_3(3FA6) / Model_34(3FA6/A) = [3.2] Download763.7133.71MPNFSGNWKIIRSENFEEMLKALGVNMMMRKIAVAAASKPAVEIKQENDTFYIKTSTTVRTTEINFKIGEEFEEQTVDGRPCKSLVKWESGNKMVCEQRLLKGEGPKTSWSRELTNDGELILTMTADDVVCTRVYVRE
Complex: B3P_A_3(3FEL) / Model_17(3FEL/A) = [3.3] Download578.6730.29MPNFSGNWKIIRSENFEEMLKALGVNMMMRKIAVAAASKPAVEIKQENDTFYIKTSTTVRTTEINFKIGEEFEEQTVDGRPCKSLVKWESGNKMVCEQRLLKGEGPKTSWSRELTNDGELILTMTADDVVCTRVYVRE
Complex: EDO_A_4(4A60) / Model_75(4A60/A) = [3.3] Download480.0132.56MPNFSGNWKIIRSENFEEMLKALGVNMMMRKIAVAAASKPAVEIKQENDTFYIKTSTTVRTTEINFKIGEEFEEQTVDGRPCKSLVKWESGNKMVCEQRLLKGEGPKTSWSRELTNDGELILTMTADDVVCTRVYVRE
Complex: LSR_A_2(3CR6) / Model_18(3CR6/A) = [3.7] Download657.7529.20MPNFSGNWKIIRSENFEEMLKALGVNMMMRKIAVAAASKPAVEIKQENDTFYIKTSTTVRTTEINFKIGEEFEEQTVDGRPCKSLVKWESGNKMVCEQRLLKGEGPKTSWSRELTNDGELILTMTADDVVCTRVYVRE
Consensus
[pKd Mean = 3.32]
-679
(s=151)
32
(s=2)
MPNFSGNWKIIRSENFEEMLKALGVNMMMRKIAVAAASKPAVEIKQENDTFYIKTSTTVRTTEINFKIGEEFEEQTVDGRPCKSLVKWESGNKMVCEQRLLKGEGPKTSWSRELTNDGELILTMTADDVVCTRVYVRE