Three-dimensional structure in solution of griseoviridin (cas 1393-90-4), a group A antibiotic

Add time:09/01/2019    Source:sciencedirect.com

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 contraints. 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.

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