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Coordination chemistry and solution structure of Fe(II)-peplomycin. Two possible coordination geometries.

Abstract：

:The solution structure of Fe(II)-peplomycin was determined from NMR data collected for this molecule. As found previously for Fe(II)- and Co(II)-bound bleomycin; the coordination sphere of the metal is composed of the primary and secondary amines in β-aminoalanine, the pyrimidine and imidazole rings in the pyrimidinylpropionamide, and β-hydroxyhistidine moieties, respectively, the amine nitrogen in β-hydroxyhistidine, and either the carbamoyl group in mannose or a solvent molecule. The two most discussed coordination geometries for the aforementioned ligands in metallo-bleomycins have been tested against the NMR data generated for Fe(II)-peplomycin. The interpretation of the experimental evidence obtained through molecular dynamics indicates that both geometries are equally likely in solution for this compound in the absence of DNA, but arguments are offered to explain why one of these geometries is preferred in the presence of DNA.

journal_name

J Inorg Biochem

journal_title

Journal of inorganic biochemistry

authors

Li Y,Lehmann T

doi

10.1016/j.jinorgbio.2012.02.020

subject

Has Abstract

pub_date

2012-06-01 00:00:00

pages

50-8

eissn

0162-0134

issn

1873-3344

pii

S0162-0134(12)00064-5

journal_volume

111

pub_type

杂志文章

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