کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
2052012 1074218 2007 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
DNA polymerase β catalytic efficiency mirrors the Asn279–dCTP H-bonding strength
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم کشاورزی و بیولوژیک دانش گیاه شناسی
پیش نمایش صفحه اول مقاله
DNA polymerase β catalytic efficiency mirrors the Asn279–dCTP H-bonding strength
چکیده انگلیسی

Ternary complexes of wild type or mutant form of human DNA polymerase β (pol β) bound to DNA and dCTP substrates were studied by molecular dynamics (MD) simulations. The occurrences of contact configurations (CC) of structurally important atom pairs were sampled along the MD trajectories, and converted into free-energy differences, ΔGCC. ΔGCC values were correlated with the experimental binding and catalytic free energies for the wild type pol β and its Arg183Ala, Tyr271Ala, Asp276Val, Lys280Gly, Arg283Ala, and Glu295Ala mutants. The correlation coefficients show that the strength of the H-bond between dCTP and Asn279 is a strong predictor of the mutation-induced changes in the catalytic efficiency of pol β. This finding is consistent with the view that enzyme preorganization plays a major role in controlling DNA polymerase specific activity.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: FEBS Letters - Volume 581, Issue 4, 20 February 2007, Pages 775–780
نویسندگان
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