Mohan Amrita, Uversky Vladimir N, Radivojac Predrag
School of Informatics and Computing, Indiana University, Bloomington, Indiana, United States of America.
PLoS Comput Biol. 2009 Sep;5(9):e1000497. doi: 10.1371/journal.pcbi.1000497. Epub 2009 Sep 4.
Many large-scale studies on intrinsically disordered proteins are implicitly based on the structural models deposited in the Protein Data Bank. Yet, the static nature of deposited models supplies little insight into variation of protein structure and function under diverse cellular and environmental conditions. While the computational predictability of disordered regions provides practical evidence that disorder is an intrinsic property of proteins, the robustness of disordered regions to changes in sequence or environmental conditions has not been systematically studied. We analyzed intrinsically disordered regions in the same or similar proteins crystallized independently and studied their sensitivity to changes in protein sequence and parameters of crystallographic experiments. The observed changes in the existence, position, and length of disordered regions indicate that their appearance in X-ray structures dramatically depends on changes in amino acid sequence and peculiarities of the crystallographic experiment. Our study also raises general questions regarding protein evolution and the regulation of protein structure, dynamics, and function via variations in cellular and environmental conditions.
许多关于内在无序蛋白质的大规模研究都隐含地基于蛋白质数据库中存储的结构模型。然而,所存储模型的静态性质几乎无法洞察蛋白质在不同细胞和环境条件下结构与功能的变化。虽然无序区域的计算可预测性提供了实际证据,证明无序是蛋白质的一种内在属性,但尚未系统研究无序区域对序列或环境条件变化的稳健性。我们分析了独立结晶的相同或相似蛋白质中的内在无序区域,并研究了它们对蛋白质序列变化和晶体学实验参数的敏感性。观察到的无序区域在存在、位置和长度上的变化表明,它们在X射线结构中的出现极大地取决于氨基酸序列的变化和晶体学实验的特殊性。我们的研究还提出了关于蛋白质进化以及通过细胞和环境条件变化来调节蛋白质结构、动力学和功能的一般性问题。