Medical Proteomics Unit, Research Department, Faculty of Medicine Siriraj Hospital, Mahidol University, Bangkok 10700, Thailand.
Medical Proteomics Unit, Research Department, Faculty of Medicine Siriraj Hospital, Mahidol University, Bangkok 10700, Thailand.
Int J Biol Macromol. 2023 Jul 15;243:125275. doi: 10.1016/j.ijbiomac.2023.125275. Epub 2023 Jun 9.
High oxalate level in blood and urine may cause oxalate-related disorders, particularly kidney stone disease. To unravel disease mechanisms, investigations of oxalate level and its binding proteins are required. However, the information on oxalate-binding proteins is limited due to a lack of appropriate tool for their investigations. Therefore, we have developed a freely accessible web-based tool, namely OxaBIND (https://www.stonemod.org/oxabind.php), to identify oxalate-binding site(s) in any proteins of interest. The prediction model was generated by recruiting all of the known oxalate-binding proteins with solid experimental evidence (from PubMed and RCSB Protein Data Bank). The potential oxalate-binding domains/motifs were predicted from these oxalate-binding proteins using PRATT tool and used to discriminate these known oxalate-binding proteins from the known non-oxalate-binding proteins. The best one, which provided highest fitness score, sensitivity and specificity, was then implemented to create the OxaBIND tool. After inputting protein identifier or sequence (which can be single or multiple), details of all the identified oxalate-binding site(s), if any, are presented in both textual and graphical formats. OxaBIND also provides theoretical three-dimensional (3D) structure of the protein with oxalate-binding site(s) being highlighted. This tool will be beneficial for future research on the oxalate-binding proteins, which play important roles in the oxalate-related disorders.
血液和尿液中草酸盐水平升高可能导致与草酸盐相关的疾病,特别是肾结石病。为了揭示疾病机制,需要对草酸盐水平及其结合蛋白进行研究。然而,由于缺乏研究这些蛋白的适当工具,关于草酸盐结合蛋白的信息有限。因此,我们开发了一个免费的基于网络的工具,即 OxaBIND(https://www.stonemod.org/oxabind.php),用于鉴定任何感兴趣的蛋白质中的草酸盐结合位点。该预测模型是通过招募所有具有确凿实验证据(来自 PubMed 和 RCSB Protein Data Bank)的已知草酸盐结合蛋白来生成的。使用 PRATT 工具从这些草酸盐结合蛋白中预测潜在的草酸盐结合域/基序,并用于将这些已知的草酸盐结合蛋白与已知的非草酸盐结合蛋白区分开来。然后,选择提供最高拟合得分、灵敏度和特异性的最佳模型来创建 OxaBIND 工具。输入蛋白质标识符或序列(可以是单个或多个)后,将以文本和图形格式呈现任何已识别的草酸盐结合位点的详细信息。OxaBIND 还提供带有草酸盐结合位点突出显示的蛋白质的理论三维(3D)结构。该工具将有助于未来对草酸盐结合蛋白的研究,这些蛋白在与草酸盐相关的疾病中发挥着重要作用。