Synthesis, structure, and molecular dynamics of gallium complexes of schizokinen and the amphiphilic siderophore acinetoferrin

EA Fadeev, M Luo, JT Groves

Index: Fadeev, Evgeny A.; Luo, Minkui; Groves, John T. Journal of the American Chemical Society, 2004 ,  vol. 126,  # 38  p. 12065 - 12075

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Citation Number: 25

Abstract

A new general synthesis of the citrate-based siderophores acinetoferrin (Af) and schizokinen (Sz) and their analogues is described. The molecular structure of gallium schizokinen, Ga Sz, was determined by combined 1H NMR, Hartree-Fock ab initio calculations, DFT, and empirical modeling of vicinal proton NMR spin-spin couplings. The metal-coordination geometry of Ga Sz was determined from NOE contacts to be cis-cis with respect to the two ...