Three-dimensional structure in solution of griseoviridin, a group A antibiotic.
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.
Jayaraman
G
G
Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan.
Bhaskaran
R
R
Yu
C
C
Young
J J
JJ
Jung
L J
LJ
Liu
W T
WT
Ho
S N
SN
Chang
L R
LR
D000900:Anti-Bacterial Agents / Q000737:chemistry*; D004121:Dimethyl Sulfoxide; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D010455:Peptides; D012996:Solutions
D000900:Anti-Bacterial Agents; D010455:Peptides; D012996:Solutions; C010583:griseoviridin; D004121:Dimethyl Sulfoxide