Kreuchwig Annika, Kleinau Gunnar, Krause Gerd
Leibniz-Institut für Molekulare Pharmakologie, 13125 Berlin, Germany.
Mol Endocrinol. 2013 Aug;27(8):1357-63. doi: 10.1210/me.2013-1115. Epub 2013 Jun 24.
The first version of a glycoprotein hormone receptor (GPHR) information resource was designed to link functional with structural GPHR information, in order to support sequence-structure-function analysis of the LH, FSH, and TSH receptors (http://ssfa-gphr.de). However, structural information on a binding- and signaling-sensitive extracellular fragment (∼100 residues), the hinge region, had been lacking. A new FSHR crystal structure of the hormone-bound extracellular domain has recently been solved. The structure comprises the leucine-rich repeat domain and most parts of the hinge region. We have not only integrated the new FSHR/FSH structure and the derived homology models of TSHR/TSH, LHCGR/CG, and LHCGR/LH into our web-based information resource, but have additionally provided novel tools to analyze the advanced structural features, with the common characteristics and distinctions between GPHRs, in a more precise manner. The hinge region with its second hormone-binding site allows us to assign functional data to the new structural features between hormone and receptor, such as binding details of a sulfated tyrosine (conserved throughout the GPHRs) extending into a pocket of the hormone. We have also implemented a protein interface analysis tool that enables the identification and visualization of extracellular contact points between interaction partners. This provides a starting point for comparing the binding patterns of GPHRs. Together with the mutagenesis data stored in the database, this will help to decipher the essential residues for ligand recognition and the molecular mechanisms of signal transduction, extending from the extracellular hormone-binding site toward the intracellular G protein-binding sites.
糖蛋白激素受体(GPHR)信息资源的首个版本旨在将GPHR的功能信息与结构信息相联系,以支持对促黄体激素(LH)、促卵泡激素(FSH)和促甲状腺激素(TSH)受体进行序列-结构-功能分析(http://ssfa-gphr.de)。然而,此前一直缺乏关于结合及信号传导敏感的细胞外片段(约100个残基)即铰链区的结构信息。最近解析出了激素结合型细胞外结构域的新型FSHR晶体结构。该结构包含富含亮氨酸重复序列结构域以及铰链区的大部分区域。我们不仅将新的FSHR/FSH结构以及推导得到的TSHR/TSH、LHCGR/CG和LHCGR/LH同源模型整合到了我们基于网络的信息资源中,还额外提供了新颖的工具,以便更精确地分析GPHRs之间的高级结构特征、共同特性及差异。带有第二个激素结合位点的铰链区使我们能够将功能数据与激素和受体之间的新结构特征相关联,比如延伸至激素口袋中的硫酸化酪氨酸(在所有GPHRs中均保守)的结合细节。我们还实现了一种蛋白质界面分析工具,可用于识别和可视化相互作用伙伴之间的细胞外接触点。这为比较GPHRs的结合模式提供了一个起点。结合数据库中存储的诱变数据,这将有助于解读配体识别的关键残基以及从细胞外激素结合位点向细胞内G蛋白结合位点延伸的信号转导分子机制。