Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, Virginia, USA.
Department of Computational Biophysics and Bioinformatics, Jagiellonian University, Krakow, Poland.
Protein Sci. 2023 Jan;32(1):e4525. doi: 10.1002/pro.4525.
Metal ions bound to macromolecules play an integral role in many cellular processes. They can directly participate in catalytic mechanisms or be essential for the structural integrity of proteins and nucleic acids. However, their unique nature in macromolecules can make them difficult to model and refine, and a substantial portion of metal ions in the PDB are misidentified or poorly refined. CheckMyMetal (CMM) is a validation tool that has gained widespread acceptance as an essential tool for researchers working on metal-macromolecule complexes. CMM can be used during structure determination or to validate metal binding sites in structural models within the PDB. The functionalities of CMM have recently been greatly enhanced and provide researchers with additional information that can guide modeling decisions. The new version of CMM shows metals in the context of electron density maps and allows for on-the-fly refinement of metal binding sites. The improvements should increase the reproducibility of biomedical research. The web server is available at https://cmm.minorlab.org.
金属离子与生物大分子结合在许多细胞过程中起着重要作用。它们可以直接参与催化机制，或者对蛋白质和核酸的结构完整性至关重要。然而，它们在生物大分子中的独特性质使得它们难以建模和精修，并且 PDB 中的很大一部分金属离子被错误识别或精修不良。CheckMyMetal（CMM）是一种验证工具，已被广泛接受为研究金属-生物大分子复合物的研究人员的重要工具。CMM 可在结构确定期间或在 PDB 中的结构模型中验证金属结合位点时使用。CMM 的功能最近得到了极大的增强，并为研究人员提供了可以指导建模决策的其他信息。新版本的 CMM 在电子密度图的背景下显示金属，并允许对金属结合位点进行实时精修。这些改进应该会提高生物医学研究的可重复性。该网络服务器可在 https://cmm.minorlab.org 获得。
Zotero 插件
