title: The structure of cyclolinopeptide A in chloroform refined by RDC measurements.
abstract: Three-dimensional structures of molecules traditionally assigned from nuclear Overhauser effects and vicinal coupling constants are recently complemented by measurements of residual dipolar couplings. Residual dipolar couplings measured in a stretched poly(dimethylsiloxane) gel were used to determine the structure of cyclolinopeptide A in chloroform solution at -50 °C. After structure refinement, conformational details of main cluster were discussed in relation to crystal and nuclear Overhauser effect derived structures.
authors.affiliation: Institute of Organic Chemistry, Faculty of Chemistry, Lodz University of Technology, Żeromskiego 116, 90-924, Lodz, Poland.
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Huben
authors.forename: Michał
authors.initials: M
authors.lastname: Jewgiński
authors.forename: Anna
authors.initials: A
authors.lastname: Pabis
authors.forename: Piotr
authors.initials: P
authors.lastname: Paluch
authors.forename: Burkhard
authors.initials: B
authors.lastname: Luy
authors.forename: Stefan
authors.initials: S
authors.lastname: Jankowski
mesh_terms: D002725:Chloroform; D018360:Crystallography, X-Ray; D004129:Dimethylpolysiloxanes; D007166:Immunosuppressive Agents / Q000737:chemistry; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D019906:Nuclear Magnetic Resonance, Biomolecular; D010456:Peptides, Cyclic / Q000737:chemistry*; D011487:Protein Conformation; D012996:Solutions
chemical_list: D004129:Dimethylpolysiloxanes; D007166:Immunosuppressive Agents; D010456:Peptides, Cyclic; D012996:Solutions; C055018:cyclolinopeptide A; C013830:baysilon; D002725:Chloroform
keywords: NMR spectroscopy; cyclolinopeptides; peptide immunosuppressants; residual dipolar couplings