𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structure elucidation and 3D solution conformation of the antibiotic enduracidin determined by NMR spectroscopy and molecular dynamics

✍ Scribed by F. Castiglione; A. Marazzi; M. Meli; G. Colombo

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
367 KB
Volume
43
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis

Enduracidin and ramoplanin belong to the large family of cyclodepsipeptide antibiotics, highly effective against Gram-positive bacteria. The primary and 3D solution structure of ramoplanin is already well known, and the primary structure of enduracidin has been determined by a combination of chemical and NMR spectroscopic methods. Both antibiotics share a similar peptide core of 17 amino acids and differ mainly in the length of the acyl chain and the presence of two D-mannose moieties in ramoplanin. Based on the high sequence homology with ramoplanin, the structure in solution of enduracidin is modeled as a cyclic peptide. The tertiary structure thus obtained was refined through molecular dynamics (MD) simulation, in which the interatomic NOE-derived distance restraints were imposed. MD simulations yielded a family of representative 3D structures (RMSD = 0.89), which highlighted a backbone geometry similar to that of ramoplanin in its beta-hairpin arrangement. In contrast, enduracidin displays a different arrangement of the side-chain and of the residues forming the hydrophobic core.

πŸ“œ SIMILAR VOLUMES

3D structure of microperoxidase-11 by NM
3D structure of microperoxidase-11 by NMR and molecular dynamic studies
✍ Rosanna Mondelli; Leonardo Scaglioni; Stefania Mazzini; Giorgio Bolis; Graziella πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 181 KB πŸ‘ 2 views

## Microperoxidase-11 (MP11) is an undecapeptide, obtained from enzymatic cleavage of cytochrome c, which still exhibits peroxidase activity. It retains residues 11-21 of the protein, the heme-c group and His18 as fifth ligand at the iron atom. We studied MP11 in the paramagnetic, Fe(III) low-spin

Solution conformation of the ketone and
Solution conformation of the ketone and epoxide synthetic precursors of Ξ²-chamigrene determined by 1H and 13C NMR spectroscopy and distance geometry
✍ Scott F. Leonard; Paul-James Jones; Denice M. Spero; T. Phil Pitner πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 349 KB

## Abstract Utilizing 2D NMR spectroscopy (COSY, NOESY, TOCSY, inverse detected ^1^H/^13^C correlation spectroscopy), the ^1^H and ^13^C NMR spectra of the ketone and epoxide precursors of β‐chamigrene were assigned. The dihedral angles and distances determined from NMR measurements provide input p

The molecular structure and unusual orie
The molecular structure and unusual orientation of phenol in a liquid crystal solevent as determined by NMR spectroscopy
✍ P. Diehl; P. M. Henrichs πŸ“‚ Article πŸ“… 1971 πŸ› John Wiley and Sons 🌐 English βš– 288 KB

The NMR spectrum of phenol, dissolved in a nematic solvent, is explainable in terms of two averaging planar structures for each of which the principle axis of orientation in the ring is on the opposite side of the oxygen atom from the hydroxyl proton. External hydrogen bonding to the solvent seems t