Study : PA1618 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: 0FQ_A_5(4K4A) / Model_38(4K4A/B) = [3.1] Download1571.4845.35MSLWRQTPDLEQLNASQKNSIGDLLGIRFEAFDDESLTASMPVDSRTHQPFGLLHGGASVVLAESLGSMASYLCVDTSQYYCVGLEVNANHLRGLRSGRVTAVARAIHLGRTTHVWDIRLSGDDGKPSCIARLTMAVVPLAGRAG
Complex: UOQ_E_18(4K4B) / Model_29(4K4B/H) = [3.1] Download1318.7546.55MSLWRQTPDLEQLNASQKNSIGDLLGIRFEAFDDESLTASMPVDSRTHQPFGLLHGGASVVLAESLGSMASYLCVDTSQYYCVGLEVNANHLRGLRSGRVTAVARAIHLGRTTHVWDIRLSGDDGKPSCIARLTMAVVPLAGRAG
Complex: 0FQ_D_10(4QD8) / Model_28(4QD8/C) = [3.1] Download1124.4540.85MSLWRQTPDLEQLNASQKNSIGDLLGIRFEAFDDESLTASMPVDSRTHQPFGLLHGGASVVLAESLGSMASYLCVDTSQYYCVGLEVNANHLRGLRSGRVTAVARAIHLGRTTHVWDIRLSGDDGKPSCIARLTMAVVPLAGRAG
Complex: UOQ_F_20(4K4B) / Model_30(4K4B/G) = [3.4] Download1315.3649.00MSLWRQTPDLEQLNASQKNSIGDLLGIRFEAFDDESLTASMPVDSRTHQPFGLLHGGASVVLAESLGSMASYLCVDTSQYYCVGLEVNANHLRGLRSGRVTAVARAIHLGRTTHVWDIRLSGDDGKPSCIARLTMAVVPLAGRAG
Complex: HFQ_C_5(4K49) / Model_40(4K49/B) = [3.4] Download1539.8444.00MSLWRQTPDLEQLNASQKNSIGDLLGIRFEAFDDESLTASMPVDSRTHQPFGLLHGGASVVLAESLGSMASYLCVDTSQYYCVGLEVNANHLRGLRSGRVTAVARAIHLGRTTHVWDIRLSGDDGKPSCIARLTMAVVPLAGRAG
Consensus
[pKd Mean = 3.22]
-1373
(s=164)
45
(s=2)
MSLWRQTPDLEQLNASQKNSIGDLLGIRFEAFDDESLTASMPVDSRTHQPFGLLHGGASVVLAESLGSMASYLCVDTSQYYCVGLEVNANHLRGLRSGRVTAVARAIHLGRTTHVWDIRLSGDDGKPSCIARLTMAVVPLAGRAG