From Raw Data to Protein Backbone Chemical Shifts Using NMRFx Processing and NMRViewJ Analysis
From Raw Data to Protein Backbone Chemical Shifts Using NMRFx Processing and NMRViewJ Analysis
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DOI：
10.1007/978-1-4939-7386-6_13
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发表时间：
2018-01-01
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影响因子：
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通讯作者：
Johnson, Bruce A.
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文献类型：
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作者：
Johnson, Bruce A.
蛋白质主链原子（HN、N、CA、CB 和 C）化学位移的分配通常是在蛋白质研究中使用 NMR 信息的先决条件。这些化学位移及其扰动是蛋白质动力学、配体结合和骨架构象分析的基础。它们通常在完整侧链分配和完整三维分子结构的确定之前进行分配。本章介绍了两个软件包 NMRFx Processor 和 NMRViewJ 在从原始 NMR 数据到主干分配的过程中的使用。该分步过程描述了数据处理以及使用 NMRViewJ 中 RunAbout 工具的手动和自动功能来执行分配。
Assignment of the chemical shifts of the backbone atoms (HN, N, CA, CB, and C) of proteins is often a prerequisite to using NMR information in the study of proteins. These chemical shifts and their perturbations are the basis for the analysis of protein dynamics, ligand binding, and backbone conformation. They are generally assigned prior to full side-chain assignments and the determination of the complete three-dimensional molecular structure. This chapter describes the use of two software packages, NMRFx Processor and NMRViewJ, in going from raw NMR data to backbone assignments. The step-by-step procedure describes processing of the data and the use of manual and automated features of the RunAbout tool in NMRViewJ to perform the assignments.