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


Journal Article

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.

Full Text

Duke Authors

Cited Authors

  • Dhungana, S; White, PS; Crumbliss, AL

Published Date

  • October 1, 2001

Published In

Volume / Issue

  • 6 / 8

Start / End Page

  • 810 - 818

PubMed ID

  • 11713688

Pubmed Central ID

  • 11713688

Electronic International Standard Serial Number (EISSN)

  • 1432-1327

International Standard Serial Number (ISSN)

  • 0949-8257

Digital Object Identifier (DOI)

  • 10.1007/s007750100259


  • eng