title: Three-dimensional structure in solution of griseoviridin, a group A antibiotic.
abstract: The solution conformation of griseoviridin, a broad spectrum antibiotic, has been determined by 1H-NMR in deuterated dimethylsulfoxide. The structural determination is based on experimental data of NOE constraints Five structures were obtained from restrained molecular dynamics calculations, by imposing (the condition for) a minimum violation of distance constraints. These structures satisfy well the experimental restraints, with small values of NOE violation and total energies. On comparison with its crystal structure, a good agreement is noted with a backbone root-mean-square deviation value of 0.084 nm. However, a small variation between the structures is observed at the aminodecanoic acid part of the molecule.
authors.affiliation: Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan.
authors.forename: G
authors.initials: G
authors.lastname: Jayaraman
authors.forename: R
authors.initials: R
authors.lastname: Bhaskaran
authors.forename: C
authors.initials: C
authors.lastname: Yu
authors.forename: J J
authors.initials: JJ
authors.lastname: Young
authors.forename: L J
authors.initials: LJ
authors.lastname: Jung
authors.forename: W T
authors.initials: WT
authors.lastname: Liu
authors.forename: S N
authors.initials: SN
authors.lastname: Ho
authors.forename: L R
authors.initials: LR
authors.lastname: Chang
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry*; D004121:Dimethyl Sulfoxide; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D010455:Peptides; D012996:Solutions
chemical_list: D000900:Anti-Bacterial Agents; D010455:Peptides; D012996:Solutions; C010583:griseoviridin; D004121:Dimethyl Sulfoxide