title: A suite of amino acid residue type classification pulse sequences for 13C-detected NMR of proteins.
abstract: A suite of (13)C-detected NMR pulse sequences to edit the correlation peaks of the CACO and CON spectra according to the amino acid residue type is presented. The pulse sequences exploit the topology of the C(β) carbon and led to the sorting of the CACO or CON signals into several classes depending on the nature of the generating residue. A set of four or eight correlation spectra is recorded where the sign of the cross peaks changes from one spectrum to another according to the amino acid type of the corresponding residue in the protein sequence. Linear combination of these spectra produces subspectra showing signals from residues having similar C(β) topology. The presence of weak breakthrough peaks does not prevent the proper classification, since this is obtained from the subspectrum in which the correlation peak is more intense. The experiments were tested on a globular protonated protein ((13)C, (15)N labeled Ubiquitin), on a globular deuterated protein ((2)H, (13)C, (15)N labeled Ubiquitin), and on an intrinsically disordered protein ((13)C, (15)N labeled Nupr1).
authors.affiliation: Instituto de Química Física Rocasolano, CSIC, Serrano 119, 28006 Madrid, Spain.
authors.forename: David
authors.initials: D
authors.lastname: Pantoja-Uceda
authors.forename: Jorge
authors.initials: J
authors.lastname: Santoro
mesh_terms: D000596:Amino Acids / Q000032:analysis*; D002247:Carbon Isotopes; D004268:DNA-Binding Proteins / Q000737:chemistry; D003903:Deuterium; D007553:Isotope Labeling; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D009363:Neoplasm Proteins / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D011522:Protons; D025801:Ubiquitin / Q000737:chemistry
chemical_list: D000596:Amino Acids; D002247:Carbon Isotopes; D004268:DNA-Binding Proteins; D009363:Neoplasm Proteins; C491644:Nupr1 protein, mouse; D011506:Proteins; D011522:Protons; D025801:Ubiquitin; D003903:Deuterium
keywords: (13)C-detected NMR; Amino acid type editing; Assignment; CACO; CON; Deuterated proteins; Intrinsically disordered proteins