{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["78(1)"],"submitter":["Hofurthner T"],"funding":["University of Vienna","Christian Doppler Forschungsgesellschaft"],"pubmed_abstract":["In this study, we present the synthesis and incorporation of a metabolic isoleucine precursor compound for selective methylene labeling. The utility of this novel α-ketoacid isotopologue is shown by incorporation into the protein Brd4-BD1, which regulates gene expression by binding to acetylated histones. High quality single quantum <sup>13</sup>C-<sup>1</sup> H-HSQC were obtained, as well as triple quantum HTQC spectra, which are superior in terms of significantly increased <sup>13</sup>C-T<sub>2</sub> times. Additionally, large chemical shift perturbations upon ligand binding were observed. Our study thus proves the great sensitivity of this precursor as a reporter for side-chain dynamic studies and for investigations of CH-π interactions in protein-ligand complexes."],"journal":["Journal of biomolecular NMR"],"pagination":["1-8"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10981609"],"repository":["biostudies-literature"],"pubmed_title":["Synthesis of a <sup>13</sup>C-methylene-labeled isoleucine precursor as a useful tool for studying protein side-chain interactions and dynamics."],"pmcid":["PMC10981609"],"pubmed_authors":["Mayer M","Toscano G","Lichtenecker R","Kontaxis G","Weinstabl H","Hofurthner T","Konrat R","Geist L","McConnell DB","Beier A"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis of a <sup>13</sup>C-methylene-labeled isoleucine precursor as a useful tool for studying protein side-chain interactions and dynamics.","description":"In this study, we present the synthesis and incorporation of a metabolic isoleucine precursor compound for selective methylene labeling. The utility of this novel α-ketoacid isotopologue is shown by incorporation into the protein Brd4-BD1, which regulates gene expression by binding to acetylated histones. High quality single quantum <sup>13</sup>C-<sup>1</sup> H-HSQC were obtained, as well as triple quantum HTQC spectra, which are superior in terms of significantly increased <sup>13</sup>C-T<sub>2</sub> times. Additionally, large chemical shift perturbations upon ligand binding were observed. Our study thus proves the great sensitivity of this precursor as a reporter for side-chain dynamic studies and for investigations of CH-π interactions in protein-ligand complexes.","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Mar","modification":"2026-07-16T12:14:48.899Z","creation":"2025-04-04T19:58:07.196Z"},"accession":"S-EPMC10981609","cross_references":{"pubmed":["37816933"],"doi":["10.1007/s10858-023-00427-2"]}}