LeBarron Jamie, Mitra Kakoli, Frank Joachim
Wadsworth Center, Empire State Plaza, Albany, NY 12201-0509, USA.
J Struct Biol. 2007 Jan;157(1):262-70. doi: 10.1016/j.jsb.2006.08.018. Epub 2006 Sep 16.
RNA performs a variety of diverse functions and therefore must adopt many different three-dimensional conformations. The number and complexity of RNA structures that are currently available are steadily increasing, necessitating the generation of versatile structure visualization tools. Here, we describe a new RNA secondary and tertiary structure visualization tool, the display program coloRNA. This program colors each nucleotide in a secondary structure schematic according to the value of an assigned property of the corresponding backbone phosphate group, such as the distance between corresponding residues in two atomic models of the same RNA molecule. To assist in analyzing tertiary structure, coloRNA also colors nucleotides based on the three-dimensional distances between a user-selected nucleotide and all others. Minimum and maximum thresholds can be used to focus in on, or eliminate, a particular value range. coloRNA can display a user-specified group of nucleotides by outlining the structure in an automatically assigned, but user-changeable color. As an example, we have used coloRNA to analyze a pair of recently published structures of the Escherichia coli 70S ribosome. When coloRNA is used to display the conformational difference between the two structures, the large movement of the small subunit head stands visually out from the background changes in the remaining domains of the small subunit.
RNA执行多种不同的功能,因此必须采用许多不同的三维构象。目前可用的RNA结构的数量和复杂性正在稳步增加,这就需要生成通用的结构可视化工具。在这里,我们描述了一种新的RNA二级和三级结构可视化工具——显示程序coloRNA。该程序根据相应主链磷酸基团的指定属性值,为二级结构示意图中的每个核苷酸上色,例如同一RNA分子的两个原子模型中相应残基之间的距离。为了帮助分析三级结构,coloRNA还根据用户选择的核苷酸与所有其他核苷酸之间的三维距离为核苷酸上色。可以使用最小和最大阈值来聚焦或消除特定的值范围。coloRNA可以通过用自动分配但用户可更改的颜色勾勒结构来显示用户指定的一组核苷酸。例如,我们使用coloRNA分析了一对最近发表的大肠杆菌70S核糖体结构。当使用coloRNA显示这两种结构之间的构象差异时,小亚基头部的大幅移动在小亚基其余结构域的背景变化中在视觉上凸显出来。