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  • Kode Ligan (Kkal/mol) Jumlah Ikatan Hidrogen Atom Yang Terikat Ligan Reseptor

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    Flautila Semunya
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    The document describes 14 different ligand conformations (T1-T14) bound to a protein receptor. It provides the binding energy in kcal/mol and number of hydrogen bonds formed for each conformation. The conformations form hydrogen bonds to amino acid residues like Ile566, Tyr56, and His115 within binding distances of 1.8-2.5 angstroms. The most stable conformation is T5 with a binding energy of -5.76 kcal/mol and 14 hydrogen bonds formed to residues including Ile566, His115, Tyr56, and water molecules.

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    Tabel

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    The document describes 14 different ligand conformations (T1-T14) bound to a protein receptor. It provides the binding energy in kcal/mol and number of hydrogen bonds formed for each conformation. The conformations form hydrogen bonds to amino acid residues like Ile566, Tyr56, and His115 within binding distances of 1.8-2.5 angstroms. The most stable conformation is T5 with a binding energy of -5.76 kcal/mol and 14 hydrogen bonds formed to residues including Ile566, His115, Tyr56, and water molecules.

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    13 views4 pages

    Kode Ligan (Kkal/mol) Jumlah Ikatan Hidrogen Atom Yang Terikat Ligan Reseptor

    Uploaded by

    Flautila Semunya
    The document describes 14 different ligand conformations (T1-T14) bound to a protein receptor. It provides the binding energy in kcal/mol and number of hydrogen bonds formed for each conformation. The conformations form hydrogen bonds to amino acid residues like Ile566, Tyr56, and His115 within binding distances of 1.8-2.5 angstroms. The most stable conformation is T5 with a binding energy of -5.76 kcal/mol and 14 hydrogen bonds formed to residues including Ile566, His115, Tyr56, and water molecules.

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    of 4

    Kode Jumlah Atom Yang Terikat Jarak Ikatan

    Ligan (kkal/mol) Ikatan


    Hidrogen Ligan Reseptor
    H N 2.10147
    (gugus amina (His115)
    primer)
    H O 2.13525
    (His110)
    H N 2.03251
    T-i -4,22 7 (His115)
    H O 2.46613
    (Trp88)
    H O 2.06724
    (Tyr112)
    H O 2.30584
    (Tyr565)
    H O 2.05718
    (Trp117)
    T1 -5,20 2 H N 1.97832
    (Ile566)

    H N 1.79147
    (Ile566)

    H N 1.96801
    T2 -4,42 2 (Ile566)

    H N 2.00588
    (Ile566)

    T3 -5,76 2 H F 2.21518
    (Tyr98)
    H N 2.04762
    (Ile566)

    H N 1.89721
    (Ile566)
    H N 2.10187
    (Ile566)

    H N 2.15678
    T4 -5,42 4 (Ile566)

    H N 2.10187
    (Ile566)

    H N 2.15678
    (Ile566)

    N O 3.05769
    (Arg69)
    N O 2.74867
    (Arg69)

    N O 2.76834
    (Arg69)
    N F 3.14504
    (Gln96)
    O O 2.63517
    (Tyr98)
    T5 -4,72 14 N O 2.58908
    (His115)
    O O 2.66669
    (Hyp56)
    N 0 3.04641
    (Tyr56)
    N N 2.96197
    (Ile566)
    N N 2.79231
    (Ile566)
    N O 2.80871
    (Met56)
    O N 2.96738
    (Hoh23)
    O O 3.04693
    (Hoh23)
    O O 2.83561
    (Hoh23)
    T6 -4,53 2 H N 2.02688
    (Ile566)
    H N 2.07967
    (Ile566)
    T7 -5,58 2 H N 2.23163
    (Ile566)
    H N 1.93966
    (Ile566)
    T8 -4,11 3 H O 2.30584
    (Tyr56)
    H N 2.04497
    (Ile566)
    H N 2.0414
    (Ile566)
    T9 -5,63 1 H N 2.05505
    (Ile566)
    T10 -4,38 3 H F 2.26432
    (Lig1)
    H N 1.90819
    (Ile566)
    H N 2.0304
    (Ile566)
    T11 -5,57 3 H O 2.02195
    (Lig1)
    H O 2.04658
    (Tyr56)
    H N 2.15437
    (Ile566)
    T12 -5,09 3 H F 2.1985
    (Tyr98)
    H N 2.00542
    (Ile566)
    H N 1.99091
    (Ile566)
    T13 -4,60 3 H O 1.94019
    (Lig1)
    1
    H N 1.83905
    (Ile566)
    H N 1.97224
    (Ile566)
    T14 -4,08 2 H N 1.9533
    (Ile566)
    H N 1.93291
    (Ile566)

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