Accurate Random Coil Chemical Shifts from an Analysis of Loop Regions in Native States of Proteins

被引：74

作者：

De Simone, Alfonso ^{[1
]}

Cavalli, Andrea ^{[1
]}

Hsu, Shang-Te Danny ^{[1
]}

Vranken, Wim ^{[2
]}

Vendruscolo, Michele ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

[2] European Bioinformat Inst, Cambridge CB10 1SD, England

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2009年 / 131卷 / 45期

关键词：

GELATION FACTOR ABP-120; DICTYOSTELIUM-DISCOIDEUM; SECONDARY STRUCTURE; DENATURED STATES; ALPHA; DYNAMICS; DOMAIN; SERVER; MODEL; N-15;

D O I：

10.1021/ja904937a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present a method for calculating accurate random coil chemical shift values of proteins. These values are obtained by analyzing the relationship between the amino acid sequences in flexible loop regions of native states and the corresponding experimentally measured chemical shifts. We estimate the errors in the random coil chemical shift scales to be 0.31 ppm for C-13(a), 0.37 ppm for C-13(B), 0.31 ppm for (CO)-C-13, 0.68 ppm for N-15, 0.09 ppm for H-1, and 0.04 ppm for H-1(a).

引用

页码：16332 / +

页数：4

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