title: Rapid measurement of 3J(H N-H alpha) and 3J(N-H beta) coupling constants in polypeptides.
abstract: We present two NMR experiments, (3,2)D HNHA and (3,2)D HNHB, for rapid and accurate measurement of 3J(H N-H alpha) and 3J(N-H beta) coupling constants in polypeptides based on the principle of G-matrix Fourier transform NMR spectroscopy and quantitative J-correlation. These experiments, which facilitate fast acquisition of three-dimensional data with high spectral/digital resolution and chemical shift dispersion, will provide renewed opportunities to utilize them for sequence specific resonance assignments, estimation/characterization of secondary structure with/without prior knowledge of resonance assignments, stereospecific assignment of prochiral groups and 3D structure determination, refinement and validation. Taken together, these experiments have a wide range of applications from structural genomics projects to studying structure and folding in polypeptides.
authors.affiliation: Department of Chemical Sciences, Tata Institute of Fundamental Research, Colaba, Mumbai 400005, India.
authors.forename: Ravi Pratap
authors.initials: RP
authors.lastname: Barnwal
authors.forename: Ashok K
authors.initials: AK
authors.lastname: Rout
authors.forename: Kandala V R
authors.initials: KV
authors.lastname: Chary
authors.forename: Hanudatta S
authors.initials: HS
authors.lastname: Atreya
mesh_terms: D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D009584:Nitrogen / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular; D010455:Peptides / Q000737:chemistry*; D017510:Protein Folding
chemical_list: D010455:Peptides; D006859:Hydrogen; D009584:Nitrogen