Host–Guest Chemistry in the Gas Phase: Selected Fragmentations of CB[6]–Peptide Complexes at Lysine Residues and Its Utility to Probe the Structures of Small Proteins
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SCOPUS
- Title
- Host–Guest Chemistry in the Gas Phase: Selected Fragmentations of CB[6]–Peptide Complexes at Lysine Residues and Its Utility to Probe the Structures of Small Proteins
- Authors
- Sung Woo Heo; Tae Su Choi; Kyung man Park; Young Ho Ko; Seung Bin Kim; Kimoon Kim; Kim, HI
- Date Issued
- 2011-10-15
- Publisher
- American Chemical Society
- Abstract
- The gas phase host-guest chemistry between cucurbit[6]uril (CB[6]) and peptide is investigated using electrospray ionization mass spectrometry (ESI-MS). CB[6] exhibits a high preference to interacting with a Lys residue in a peptide forming a CB[6]-peptide complex. Collisionally activated CB[6] complexes of peptides yield a common highly selective fragment product at m/z 549.2, corresponding to the doubly charged CB[6] complex of 5-iminiopentylammonium (STPA). The process involves the formation of an internal iminium ion, which results from further fragments to an a-type ion from a y-type ion, and the resulting 5IPA ion threads through CB[6]. Numerous peptides are investigated to test the generality of the observed unique host-guest chemistry of CB[6]. Its potential utility in probing protein structures is demonstrated using CB[6] complexes of ubiquitin. Low-energy collision induced dissociation yields CB[6] complex fragments, and further MS(n) spectra reveal details of the CB[6] binding sites, which allow us to deduce the protein structure in the solution phase. The mechanisms and energetics of the observed reactions are evaluated using density functional theory calculations.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/17033
- DOI
- 10.1021/AC201854A
- ISSN
- 0003-2700
- Article Type
- Article
- Citation
- ANALYTICAL CHEMISTRY, vol. 83, no. 20, page. 7916 - 7923, 2011-10-15
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- There are no files associated with this item.
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