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CMM—An enhanced platform for interactive validation of metal binding sites
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 r...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley & Sons, Inc.
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9794025/ https://www.ncbi.nlm.nih.gov/pubmed/36464767 http://dx.doi.org/10.1002/pro.4525 |
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author | Gucwa, Michal Lenkiewicz, Joanna Zheng, Heping Cymborowski, Marcin Cooper, David R. Murzyn, Krzysztof Minor, Wladek |
author_facet | Gucwa, Michal Lenkiewicz, Joanna Zheng, Heping Cymborowski, Marcin Cooper, David R. Murzyn, Krzysztof Minor, Wladek |
author_sort | Gucwa, Michal |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-9794025 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | John Wiley & Sons, Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-97940252023-01-01 CMM—An enhanced platform for interactive validation of metal binding sites Gucwa, Michal Lenkiewicz, Joanna Zheng, Heping Cymborowski, Marcin Cooper, David R. Murzyn, Krzysztof Minor, Wladek Protein Sci Tools for Protein Science 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. John Wiley & Sons, Inc. 2023-01-01 /pmc/articles/PMC9794025/ /pubmed/36464767 http://dx.doi.org/10.1002/pro.4525 Text en © 2022 The Authors. Protein Science published by Wiley Periodicals LLC on behalf of The Protein Society. https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc-nd/4.0/ (https://creativecommons.org/licenses/by-nc-nd/4.0/) License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non‐commercial and no modifications or adaptations are made. |
spellingShingle | Tools for Protein Science Gucwa, Michal Lenkiewicz, Joanna Zheng, Heping Cymborowski, Marcin Cooper, David R. Murzyn, Krzysztof Minor, Wladek CMM—An enhanced platform for interactive validation of metal binding sites |
title |
CMM—An enhanced platform for interactive validation of metal binding sites |
title_full |
CMM—An enhanced platform for interactive validation of metal binding sites |
title_fullStr |
CMM—An enhanced platform for interactive validation of metal binding sites |
title_full_unstemmed |
CMM—An enhanced platform for interactive validation of metal binding sites |
title_short |
CMM—An enhanced platform for interactive validation of metal binding sites |
title_sort | cmm—an enhanced platform for interactive validation of metal binding sites |
topic | Tools for Protein Science |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9794025/ https://www.ncbi.nlm.nih.gov/pubmed/36464767 http://dx.doi.org/10.1002/pro.4525 |
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