Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptides
The pH dependence of several NMR parameters of glycine and alanine short oligopeptides has been reported previously in different studies. Here we have thoroughly examined, summarized and demonstrated the dependences of 1H, 13C and 15N chemical shifts and protonation states of amino acids using two-d...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
The Royal Society
2023-10-01
|
| Series: | Royal Society Open Science |
| Subjects: | |
| Online Access: | https://royalsocietypublishing.org/doi/10.1098/rsos.230942 |
| _version_ | 1797666866256150528 |
|---|---|
| author | A. A. Shahkhatuni A. G. Shahkhatuni |
| author_facet | A. A. Shahkhatuni A. G. Shahkhatuni |
| author_sort | A. A. Shahkhatuni |
| collection | DOAJ |
| description | The pH dependence of several NMR parameters of glycine and alanine short oligopeptides has been reported previously in different studies. Here we have thoroughly examined, summarized and demonstrated the dependences of 1H, 13C and 15N chemical shifts and protonation states of amino acids using two-dimensional NMR experiments. Nevertheless, 1JCαH one bond spin–spin coupling constants are more informative and convenient for determination of the position and protonation state of glycine and alanine residue in the oligopeptide chain. In particular, for various oligopeptides (up to six residues), it was shown that the pH dependence of 1JCαH of N-terminal glycine and alanine residues is larger than that of C-terminal groups, and in backbone residues, it is not influenced by pH and only slightly depends on the position of the amino acid residue in the chain. |
| first_indexed | 2024-03-11T20:04:45Z |
| format | Article |
| id | doaj.art-b4319b20575346a38a513b72057f9ded |
| institution | Directory Open Access Journal |
| issn | 2054-5703 |
| language | English |
| last_indexed | 2024-03-11T20:04:45Z |
| publishDate | 2023-10-01 |
| publisher | The Royal Society |
| record_format | Article |
| series | Royal Society Open Science |
| spelling | doaj.art-b4319b20575346a38a513b72057f9ded2023-10-04T07:05:28ZengThe Royal SocietyRoyal Society Open Science2054-57032023-10-01101010.1098/rsos.230942Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptidesA. A. Shahkhatuni0A. G. Shahkhatuni1Scientific Technological Center of Organic and Pharmaceutical Chemistry of NAS RA, Yerevan, ArmeniaScientific Technological Center of Organic and Pharmaceutical Chemistry of NAS RA, Yerevan, ArmeniaThe pH dependence of several NMR parameters of glycine and alanine short oligopeptides has been reported previously in different studies. Here we have thoroughly examined, summarized and demonstrated the dependences of 1H, 13C and 15N chemical shifts and protonation states of amino acids using two-dimensional NMR experiments. Nevertheless, 1JCαH one bond spin–spin coupling constants are more informative and convenient for determination of the position and protonation state of glycine and alanine residue in the oligopeptide chain. In particular, for various oligopeptides (up to six residues), it was shown that the pH dependence of 1JCαH of N-terminal glycine and alanine residues is larger than that of C-terminal groups, and in backbone residues, it is not influenced by pH and only slightly depends on the position of the amino acid residue in the chain.https://royalsocietypublishing.org/doi/10.1098/rsos.230942spin–spin coupling constantsamino acidsionic stateacidityoligoglycinesoligoalanines |
| spellingShingle | A. A. Shahkhatuni A. G. Shahkhatuni Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptides Royal Society Open Science spin–spin coupling constants amino acids ionic state acidity oligoglycines oligoalanines |
| title | Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptides |
| title_full | Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptides |
| title_fullStr | Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptides |
| title_full_unstemmed | Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptides |
| title_short | Revisiting the influence of pH on 1JCαH and chemical shifts of glycine and alanine short oligopeptides |
| title_sort | revisiting the influence of ph on 1jcαh and chemical shifts of glycine and alanine short oligopeptides |
| topic | spin–spin coupling constants amino acids ionic state acidity oligoglycines oligoalanines |
| url | https://royalsocietypublishing.org/doi/10.1098/rsos.230942 |
| work_keys_str_mv | AT aashahkhatuni revisitingtheinfluenceofphon1jcahandchemicalshiftsofglycineandalanineshortoligopeptides AT agshahkhatuni revisitingtheinfluenceofphon1jcahandchemicalshiftsofglycineandalanineshortoligopeptides |