G. Jayaraman et al., 3-DIMENSIONAL STRUCTURE IN SOLUTION OF GRISEOVIRIDIN, A GROUP-A ANTIBIOTIC, Biochimica et biophysica acta (G). General subjects, 1201(2), 1994, pp. 149-156
The solution conformation of griseoviridin, a broad spectrum antibioti
c, has been determined by H-1-NMR in deuterated dimethylsulfoxide. The
structural determination is based on experimental data of NOE constra
ints. 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 r
estraints, with small values of NOE violation and total energies. On c
omparison with its crystal structure, a good agreement is noted with a
backbone root-mean-square deviation value of 0.084 nm. However, a sma
ll variation between the structures is observed at the aminodecanoic a
cid part of the molecule.