The conformations of monensin-A metal complexes in solution determined by NMR spectroscopy

T. Martinek, Frank G. Riddell, Craig Wilson, Charles T. Weller

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

The structures in solution of the Na+, K+ and Rb+ salts of monensin have been determined by the use of NOESY distance restraints and molecular modelling. The structures are similar to those obtained by X-ray diffraction with the exception of a close carboxylate oxygen-to-metal distance and only five observed close metal-to-oxygen ligating interactions. Molecular dynamics involving the derived structure of the sodium salt at increasing relative permittivity sheds light on the mechanism by which monensin binds to and unbinds from sodium ions in the membrane surface. The series of structures as the size of the metal ion increases also shows that the whole monensin molecule adapts to incorporate changes in the ionic radius including changes in torsion angles, changes in heterocyclic ring conformations and changes in the ligation and hydrogen bonding patterns.

Original languageEnglish
Pages (from-to)35-41
Number of pages7
JournalJournal of the Chemical Society, Perkin Transactions 2
Issue number1
Publication statusPublished - Jan 2000

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Monensin
Coordination Complexes
Nuclear magnetic resonance spectroscopy
Conformations
Salts
Metals
Sodium
Oxygen
Molecular modeling
Torsional stress
Metal ions
Molecular dynamics
Hydrogen bonds
Permittivity
Ions
Membranes
X ray diffraction
Molecules

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

The conformations of monensin-A metal complexes in solution determined by NMR spectroscopy. / Martinek, T.; Riddell, Frank G.; Wilson, Craig; Weller, Charles T.

In: Journal of the Chemical Society, Perkin Transactions 2, No. 1, 01.2000, p. 35-41.

Research output: Contribution to journalArticle

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