| GPCRana: A web server for quantitative analysis of GPCR structures |
| 論文作者 |
Guo, Y; Zhou, QT; Wei, B; Wang, MW; Zhao, SW |
| 期刊/會(huì)議名稱 |
STRUCTURE |
| 論文年度 |
2023 |
| 論文類別 |
Article |
| 摘要 |
G protein-coupled receptors (GPCRs) attract tremendous attention from both industrial and academic researchers with currently over 900 released structures. Structural analysis is widely used to understand receptor functionality and pharmacology, but more user-friendly tools are needed. Residue-residue contact score (RRCS) is an atomic distance-based method that allows a quantitative description of GPCR structures. Here, we present GPCRana, a web server that provides a user-friendly interface to analyze GPCR structures. After uploading selected structures, GPCRana immediately generates a comprehensive report covering four aspects: (i) RRCS for all residue pairs incorporated with real-time 3D visualization; (ii) ligand-receptor interactions; (iii) activation pathway analysis; and (iv) RRCS_TMs that indicates the global movements of trans membrane helices. Moreover, conformational changes between two structures can be analyzed. Applying GPCRana on AlphaFold2-predicted models reveals differentiated inter-helical packing forms in a receptor dependent manner. Our web server offers a fast and precise way to study GPCR structures and is freely available at http://gpcranalysis.com/#/. |
| 期 |
9 |
| 卷 |
31 |
| 影響因子 |
5.7 |
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