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    The document describes the docking of the substrate maltosa to an oxidoreductase enzyme classified as a carbohydrate. It provides details on the grid box parameters and temperature used for docking, as well as a table showing the root mean square deviation, inhibition constant, and binding energy for 10 maltosa conformations docked to the enzyme.

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    The document describes the docking of the substrate maltosa to an oxidoreductase enzyme classified as a carbohydrate. It provides details on the grid box parameters and temperature used for docking, as well as a table showing the root mean square deviation, inhibition constant, and binding energy for 10 maltosa conformations docked to the enzyme.

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    3 views2 pages

    Data

    Uploaded by

    rabiatul
    The document describes the docking of the substrate maltosa to an oxidoreductase enzyme classified as a carbohydrate. It provides details on the grid box parameters and temperature used for docking, as well as a table showing the root mean square deviation, inhibition constant, and binding energy for 10 maltosa conformations docked to the enzyme.

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    © All Rights Reserved
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    of 2

    Makromolekul: 6Z3B

    Jenis : Oksidoreduktase

    Klasifikasi : Karbohidrat

    Substrat : Maltosa

    Docking Molekul

    Total grid pts per map : 380019

    Spacing :1Å

    Jarak x : 112

    Jarak y : 56

    Jarak z : 58

    Koordinat pusat grid box (x;y;z): 37,42; -14,386; 28,91

    Temperatur : 298,15 K

    Tabel 1. Data hasil docking

    Substrat Ref RMS KI (mM) Binding Energy


    Maltosa1 36,93 1,34 -3,92
    Maltosa2 64,26 2,14 -3,64
    Maltosa3 47,63 2,24 -3,61
    Maltosa4 29,95 3,63 -3,33
    Maltosa5 55,62 3,96 -3,28
    Maltosa6 45,08 6,24 -3,01
    Maltosa7 51,53 9,23 -2,78
    Maltosa8 59,66 10,86 -2,68
    Maltosa9 62,19 14,55 -2,51
    Maltosa10 62,09 16,48 -2,43

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