Distinguishing Protein Chemical Topologies Using Supercharging Ion Mobility Spectrometry-Mass Spectrometry
Jiyeon Lee
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Data curation (lead), Formal analysis (equal), Visualization (lead), Writing - original draft (lead), Writing - review & editing (supporting)
Search for more papers by this authorDahye Im
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Data curation (supporting), Formal analysis (equal), Visualization (supporting), Writing - original draft (supporting), Writing - review & editing (supporting)
Search for more papers by this authorYajie Liu
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Resources (equal)
Search for more papers by this authorJing Fang
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Resources (equal)
Search for more papers by this authorXibao Tian
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Resources (equal)
Search for more papers by this authorMinsu Kim
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Data curation (supporting), Validation (supporting)
Search for more papers by this authorCorresponding Author
Prof. Wen-Bin Zhang
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Conceptualization (equal), Funding acquisition (equal), Investigation (equal), Project administration (supporting), Writing - review & editing (equal)
Search for more papers by this authorCorresponding Author
Prof. Jongcheol Seo
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Conceptualization (equal), Funding acquisition (equal), Investigation (lead), Project administration (lead), Validation (lead), Writing - review & editing (lead)
Search for more papers by this authorJiyeon Lee
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Data curation (lead), Formal analysis (equal), Visualization (lead), Writing - original draft (lead), Writing - review & editing (supporting)
Search for more papers by this authorDahye Im
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Data curation (supporting), Formal analysis (equal), Visualization (supporting), Writing - original draft (supporting), Writing - review & editing (supporting)
Search for more papers by this authorYajie Liu
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Resources (equal)
Search for more papers by this authorJing Fang
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Resources (equal)
Search for more papers by this authorXibao Tian
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Resources (equal)
Search for more papers by this authorMinsu Kim
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Data curation (supporting), Validation (supporting)
Search for more papers by this authorCorresponding Author
Prof. Wen-Bin Zhang
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Polymer Chemistry & Physics of Ministry of Education, Center for Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China
Contribution: Conceptualization (equal), Funding acquisition (equal), Investigation (equal), Project administration (supporting), Writing - review & editing (equal)
Search for more papers by this authorCorresponding Author
Prof. Jongcheol Seo
Department of Chemistry, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673 Gyeonsangbuk-do (Republic of, Korea
Contribution: Conceptualization (equal), Funding acquisition (equal), Investigation (lead), Project administration (lead), Validation (lead), Writing - review & editing (lead)
Search for more papers by this authorAbstract
A technique combining ion mobility spectrometry-mass spectrometry (IMS-MS) and supercharging electrospray ionization (ESI) has been demonstrated to differentiate protein chemical topology effectively. Incorporating as many charges as possible into proteins via supercharging ESI allows the protein chains to be largely unfolded and stretched, revealing their hidden chemical topology. Different chemical topologies result in differing geometrical sizes of the unfolded proteins due to constraints in torsional rotations in cyclic domains. By introducing new topological indices, such as the chain-length-normalized collision cross-section (CCS) and the maximum charge state (zM) in the extensively unfolded state, we were able to successfully differentiate various protein chemical topologies, including linear chains, ring-containing topologies (lasso, tadpole, multicyclics, etc.), and mechanically interlocked rings, like catenanes.
Conflict of interest
The authors declare no conflict of interest.
Open Research
Data Availability Statement
The data that support the findings of this study are available from the corresponding author upon reasonable request.
Supporting Information
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