title: NMR solution structure and conformational analysis of the calcium release agent cyclic adenosine 5'-diphosphate ribose (cADPR).
abstract: A high-resolution NMR study of the solution structure of the calcium release agent cADPR has been performed. Pseudorotationals analysis reveals that in solution both sugar rings in cADPR adopt predominantly (approximately 75%) South conformations, with the A and N rings adopting approximately 2T3 (C2'-endo(major)-C3'-exo(minor) and 4(3)T (C3'-exo-C4'-endo) conformations, respectively. The backbone torsion angles beta and gamma have also been determined. While the minor North conformers were not observed in the crystal structure of cADPR, the solution values of the major South conformers compare well to those found in crystal structure.
authors.affiliation: Department of Chemistry, St. John's University, Jamaica, NY 11439, USA.
authors.forename: S M
authors.initials: SM
authors.lastname: Graham
authors.forename: S C
authors.initials: SC
authors.lastname: Pope
mesh_terms: D000246:Adenosine Diphosphate Ribose / Q000031:analogs & derivatives* / Q000737:chemistry*; D036563:Cyclic ADP-Ribose; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015394:Molecular Structure; D012996:Solutions / Q000737:chemistry
chemical_list: D012996:Solutions; D036563:Cyclic ADP-Ribose; D000246:Adenosine Diphosphate Ribose