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Structural characterization of oxidized lumiflavin hydrochloride hydrate: Comparison with the hydrogen bonding at the cofactor of flavoproteins

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Abstract

In order to examine the possibility of hydrogen bonding around the flavin ring, an X-ray diffraction study of the title compound was undertaken. Crystals of lumiflavin hydrochloride hydrate [2(C13H12N4O2) 4 HCl 7 H2O] are triclinic, space group\(P\bar 1\),Z=2,a=11.064(1),b=17.903(1),c=9.891(1)Å, α=111.9(6), β-96.4(8), γ=91.6(7)°. We present the crystal structure of this compound and compare it with other flavin derivatives and with the structure of the active site of some flavoproteins.

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Wouters, J., Moureau, F., Perpète, P. et al. Structural characterization of oxidized lumiflavin hydrochloride hydrate: Comparison with the hydrogen bonding at the cofactor of flavoproteins. J Chem Crystallogr 24, 607–614 (1994). https://doi.org/10.1007/BF01671675

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Key words

  • Oxidized lumiflavin
  • hydrochloride hydrate
  • hydrogen bonding
  • cofactor flavoproteins