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Determining isoleucine side-chain rotamer-sampling in proteins from 13 C chemical shift
Chemical shifts are often the only nuclear magnetic resonance parameter that can be obtained for challenging macromolecular systems. Here we present a framework to derive the conformational sampling of isoleucine side chains from C chemical shifts and demonstrate that side-chain conformations in a l...
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| Published in: | Chemical communications (Cambridge, England) England), 2019-12, Vol.55 (94), p.14107-14110 |
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| Main Authors: | , , , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c996-da0dcc159bb691b397d38ead4a2208689f2fcd5b9cfb2633c3b0f6e5c955089c3 |
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| cites | cdi_FETCH-LOGICAL-c996-da0dcc159bb691b397d38ead4a2208689f2fcd5b9cfb2633c3b0f6e5c955089c3 |
| container_end_page | 14110 |
| container_issue | 94 |
| container_start_page | 14107 |
| container_title | Chemical communications (Cambridge, England) |
| container_volume | 55 |
| creator | Siemons, Lucas Uluca-Yazgi, Boran Pritchard, Ruth B McCarthy, Stephen Heise, Henrike Hansen, D Flemming |
| description | Chemical shifts are often the only nuclear magnetic resonance parameter that can be obtained for challenging macromolecular systems. Here we present a framework to derive the conformational sampling of isoleucine side chains from
C chemical shifts and demonstrate that side-chain conformations in a low-populated folding intermediate can be determined. |
| doi_str_mv | 10.1039/C9CC06496F |
| format | article |
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| fulltext | fulltext |
| identifier | ISSN: 1359-7345 |
| ispartof | Chemical communications (Cambridge, England), 2019-12, Vol.55 (94), p.14107-14110 |
| issn | 1359-7345 1364-548X |
| language | eng |
| recordid | cdi_crossref_primary_10_1039_C9CC06496F |
| source | Royal Society of Chemistry:Jisc Collections:Royal Society of Chemistry Read and Publish 2022-2024 (reading list) |
| subjects | Carbon Isotopes Density Functional Theory Isoleucine - analysis Isoleucine - chemistry Nuclear Magnetic Resonance, Biomolecular Protein Conformation Proteins - chemistry |
| title | Determining isoleucine side-chain rotamer-sampling in proteins from 13 C chemical shift |
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