title: An approach to sequential NMR assignments of proteins: application to chemical shift restraint-based structure prediction.
abstract: A procedure for the simultaneous acquisition of {HNCOCANH & HCCCONH} chemical shift correlation spectra employing sequential [Formula: see text] data acquisition for moderately sized proteins is presented. The suitability of the approach for obtaining sequential resonance assignments, including complete [Formula: see text] and [Formula: see text] chemical shift information, is demonstrated experimentally for a [Formula: see text] and [Formula: see text] labelled sample of the C-terminal winged helix (WH) domain of the minichromosome maintenance (MCM) complex of Sulfolobus solfataricus. The chemical shift information obtained was used to calculate the global fold of this winged helix domain via CS-Rosetta. This demonstrates that our procedure provides a reliable and straight-forward protocol for a quick global fold determination of moderately-sized proteins.
authors.affiliation: Biomolecular NMR Spectroscopy, Leibniz Institute for Age Research - Fritz Lipmann Institute, Beutenbergstr. 11, 07745 , Jena, Germany.
authors.forename: Christoph
authors.initials: C
authors.lastname: Wiedemann
authors.forename: Peter
authors.initials: P
authors.lastname: Bellstedt
authors.forename: Christian
authors.initials: C
authors.lastname: Herbst
authors.forename: Matthias
authors.initials: M
authors.lastname: Görlach
authors.forename: Ramadurai
authors.initials: R
authors.lastname: Ramachandran
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry*; D064110:Minichromosome Maintenance Proteins / Q000737:chemistry*; D008956:Models, Chemical; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D048229:Sulfolobus solfataricus / Q000737:chemistry*
chemical_list: D001426:Bacterial Proteins; D064110:Minichromosome Maintenance Proteins