NMR study of the solution conformation of actinomycin D.
The solution conformation of actinomycin D, the Gram-positive antibiotic and DNA-binding drug, has been determined by 1H-NMR in deuterated dimethyl sulfoxide. The structure determination is based on the experimental data set of NOE restraints. Four structures were obtained from the distance geometry and restrained molecular dynamics calculation. The resultant structures satisfy the experimental restraints very well. These structures are found to be compatible with the X-ray crystal structures.
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Chemistry Department, National Tsing Hua University, Taiwan, Republic of China.
Tseng
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D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D003609:Dactinomycin / Q000737:chemistry*; D003903:Deuterium; D004121:Dimethyl Sulfoxide; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D012996:Solutions; D013816:Thermodynamics; D014961:X-Ray Diffraction
D012996:Solutions; D003609:Dactinomycin; D003903:Deuterium; D004121:Dimethyl Sulfoxide