Homology modeling of larger proteins guided by chemical shifts

被引：0

作者：

Shen Y. ^{[1
]}

Bax A. ^{[1
]}

机构：

[1] Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, US National Institutes of Health, Bethesda, MD

来源：

Nature Methods | 2015年 / 12卷 / 8期

基金：

美国国家卫生研究院;

关键词：

D O I：

10.1038/nmeth.3437

中图分类号：

学科分类号：

摘要：

We describe an approach to the structure determination of large proteins that relies on experimental NMR chemical shifts, plus sparse nuclear Overhauser effect (NOE) data if available. Our alignment method, POMONA (protein alignments obtained by matching of NMR assignments), directly exploits pre-existing bioinformatics algorithms to match experimental chemical shifts to values predicted for the crystallographic database. Protein templates generated by POMONA are subsequently used as input for chemical shift-based Rosetta comparative modeling (CS-RosettaCM) to generate reliable full-atom models. © 2015 Nature America, Inc. All rights reserved.

引用

页码：747 / 750

页数：3

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