How do the x-ray structure and the NMR structure of FMN-binding protein differ?

Acta Crystallogr D Biol Crystallogr. 2000 Mar;56(Pt 3):368-71. doi: 10.1107/s0907444900000111.

Abstract

The crystal structure of FMN-binding protein (FMN-bp) from Desulfovibrio vulgaris Miyazaki F was solved by the multiple isomorphous replacement method and refined to an R factor of 15.1% at 1.3 A resolution. FMN-bp exists in a dimeric form in the crystal, in contrast to the monomeric structure determined by NMR. R.m.s. deviations between the crystal structure and the solution structure are more than 2 A, which implies significant differences. There are some hydrophobic residues in the interface between the two monomers. In particular, Leu122 in the C-terminus has a close contact with the o-xylene moiety of FMN, while solvent molecules may cover the o-xylene moiety in the solution structure.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bacterial Proteins / chemistry*
  • Carrier Proteins / chemistry*
  • Crystallization
  • Crystallography, X-Ray
  • Desulfovibrio vulgaris / chemistry*
  • Dimerization
  • Flavoproteins*
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Protein Conformation
  • Solvents
  • Xylenes

Substances

  • Bacterial Proteins
  • Carrier Proteins
  • FMN-binding protein, Desulfovibrio vulgaris
  • Flavoproteins
  • Solvents
  • Xylenes
  • 2-xylene

Associated data

  • PDB/1FLM