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The conformation of echinomycin in DMSO solution.
1Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan, Republic of China.
Biochimica Et Biophysica Acta
|October 10, 1991
Summary
The antibiotic echinomycin
Area of Science:
- Biochemistry and Molecular Biology
- Structural Biology
Background:
- Echinomycin is a cyclic peptide antibiotic with a unique structure.
- Understanding its conformation is crucial for its biological activity.
Purpose of the Study:
- To determine the three-dimensional structure of echinomycin in DMSO solution.
- To elucidate the conformational dynamics of echinomycin.
Main Methods:
- Two-dimensional Nuclear Magnetic Resonance (2D NMR) spectroscopy was employed.
- Distance geometry calculations were performed using Nuclear Overhauser Effect (NOE) distance constraints.
- Restrained energy minimization was utilized to refine the conformations.
Main Results:
- Five distinct, converged conformations of echinomycin were identified.
- The study provides detailed distance constraints for echinomycin's structure.
- Conformational analysis revealed specific structural arrangements in DMSO.
Conclusions:
- The study successfully determined the solution conformation of echinomycin.
- The findings contribute to understanding echinomycin's structure-activity relationship.
- This structural data can inform the design of related peptide antibiotics.