کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9667520 | 863757 | 2005 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular dynamics simulations of the Trp repressor-DNA complex and the AV77 mutant
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Molecular dynamics simulations were performed on E. coli wild type (WT) Trp repressor and the AV77 mutant in interaction with DNA. Alanine to valine mutation at position 77 results in a repressor with enhanced activity at low concentrations of the L-Trp co-repressor. However, WT and AV77 mutant show an identical crystallographic structure, preventing to devise a clear structure-function correlation and suggesting that the different activity could be ascribed to a varied dynamical behavior. Root mean square deviations, dynamical cross correlation and hydrogen bond analysis have been performed to detect specific differences between the two repressor forms, showing that both ligand and DNA binding is different in the two complexes.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 169, Issues 1â3, 1 July 2005, Pages 130-134
Journal: Computer Physics Communications - Volume 169, Issues 1â3, 1 July 2005, Pages 130-134
نویسندگان
Manuela Cavallari, Alessandro Desideri, Mattia Falconi, Mauro Ferrario,