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Crystal structure of ferrioxamine B: a comparative analysis and implications for molecular recognition.

Publication ,  Journal Article
Dhungana, S; White, PS; Crumbliss, AL
Published in: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
October 2001

Ferrioxamine B was successfully co-crystallized with ethanolpentaaquomagnesium(II) and perchlorate ions as counter ions, C27H62Cl3FeMgN6O26, and the crystal structure has been determined by single-crystal X-ray diffraction. The crystals are monoclinic, space group P2(1)/n, four molecules per unit cell with dimensions a=21.1945(7) A, b=10.0034(3) A, c=106.560(1) A, and beta=106.560(1) degrees. The crystal structure contains a racemic mixture of Lambda-N-cis,cis and Delta-N-cis,cis coordination isomers. The structural parameters and the conformational features of ferrioxamine B compare very well with those of ferrioxamines D1 and E, with an exception of the orientation of the pendant protonated amine, which is pointing away from the connecting amide chains and towards the carbonyl face of the inner coordination shell distorted octahedron. This pendant protonated amine, in conjunction with the carbonyl face of the Fe(III) coordination shell, is proposed to play an important role in the recognition and membrane transport processes.

Duke Scholars

Published In

Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry

DOI

EISSN

1432-1327

ISSN

0949-8257

Publication Date

October 2001

Volume

6

Issue

8

Start / End Page

810 / 818

Related Subject Headings

  • X-Ray Diffraction
  • Molecular Structure
  • Models, Molecular
  • Iron
  • Ferric Compounds
  • Deferoxamine
  • Crystallization
  • Biophysics
  • 3402 Inorganic chemistry
  • 3101 Biochemistry and cell biology
 

Citation

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Dhungana, S., White, P. S., & Crumbliss, A. L. (2001). Crystal structure of ferrioxamine B: a comparative analysis and implications for molecular recognition. Journal of Biological Inorganic Chemistry : JBIC : A Publication of the Society of Biological Inorganic Chemistry, 6(8), 810–818. https://doi.org/10.1007/s007750100259
Dhungana, S., P. S. White, and A. L. Crumbliss. “Crystal structure of ferrioxamine B: a comparative analysis and implications for molecular recognition.Journal of Biological Inorganic Chemistry : JBIC : A Publication of the Society of Biological Inorganic Chemistry 6, no. 8 (October 2001): 810–18. https://doi.org/10.1007/s007750100259.
Dhungana S, White PS, Crumbliss AL. Crystal structure of ferrioxamine B: a comparative analysis and implications for molecular recognition. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry. 2001 Oct;6(8):810–8.
Dhungana, S., et al. “Crystal structure of ferrioxamine B: a comparative analysis and implications for molecular recognition.Journal of Biological Inorganic Chemistry : JBIC : A Publication of the Society of Biological Inorganic Chemistry, vol. 6, no. 8, Oct. 2001, pp. 810–18. Epmc, doi:10.1007/s007750100259.
Dhungana S, White PS, Crumbliss AL. Crystal structure of ferrioxamine B: a comparative analysis and implications for molecular recognition. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry. 2001 Oct;6(8):810–818.
Journal cover image

Published In

Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry

DOI

EISSN

1432-1327

ISSN

0949-8257

Publication Date

October 2001

Volume

6

Issue

8

Start / End Page

810 / 818

Related Subject Headings

  • X-Ray Diffraction
  • Molecular Structure
  • Models, Molecular
  • Iron
  • Ferric Compounds
  • Deferoxamine
  • Crystallization
  • Biophysics
  • 3402 Inorganic chemistry
  • 3101 Biochemistry and cell biology