Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Gucwa, Michal, Lenkiewicz, Joanna, Zheng, Heping, Cymborowski, Marcin, Cooper, David R., Murzyn, Krzysztof, Minor, Wladek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2023
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
_version_ 1784859948928204800
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
work_keys_str_mv AT gucwamichal cmmanenhancedplatformforinteractivevalidationofmetalbindingsites
AT lenkiewiczjoanna cmmanenhancedplatformforinteractivevalidationofmetalbindingsites
AT zhengheping cmmanenhancedplatformforinteractivevalidationofmetalbindingsites
AT cymborowskimarcin cmmanenhancedplatformforinteractivevalidationofmetalbindingsites
AT cooperdavidr cmmanenhancedplatformforinteractivevalidationofmetalbindingsites
AT murzynkrzysztof cmmanenhancedplatformforinteractivevalidationofmetalbindingsites
AT minorwladek cmmanenhancedplatformforinteractivevalidationofmetalbindingsites