title: Spin Densities in Flavin Analogs within a Flavoprotein.
abstract: Characterization by electron paramagnetic resonance techniques of several variants of Anabaena flavodoxin, where the naturally occurring FMN cofactor is substituted by different analogs, makes it possible to improve the details of the spin distribution map in the isoallosazine ring in its semiquinone state. The analyzed variants were selected to monitor the effects of intrinsic changes in the flavin ring electronic structure, as well as perturbations in the apoflavodoxin-flavin interaction, on the spin populations. When these effects were analyzed together with the functional properties of the different flavodoxin variants, a relationship between spin population and biochemical parameters, as the reduction potential, could be envisaged.
authors: Instituto de Ciencia de Materiales de Aragón, Universidad de Zaragoza, Consejo Superior de Investigaciones Científicas, Zaragoza, Spain. Electronic address: jimartin@unizar.es.
authors: Jesús Ignacio
authors: JI
authors: Martínez
authors: Departamento de Bioquímica y Biología Molecular y Celular, Universidad de Zaragoza, Zaragoza, Spain; Instituto de Biocomputación y Física de Sistemas Complejos, Universidad de Zaragoza, Zaragoza, Spain; Sir William Dunn School of Pathology, University of Oxford, Oxford, United Kingdom.
authors: Susana
authors: S
authors: Frago
authors: Grupo de Bioquímica Teórica, Universidad Industrial de Santander, Bucaramanga, Colombia.
authors: Isaías
authors: I
authors: Lans
authors: Instituto de Ciencia de Materiales de Aragón, Universidad de Zaragoza, Consejo Superior de Investigaciones Científicas, Zaragoza, Spain.
authors: Pablo Javier
authors: PJ
authors: Alonso
authors: Centro Universitario de la Defensa, Zaragoza, Spain; Laboratory of Physical Chemistry, Eidgenössische Technische Hochschule Zürich, Switzerland.
authors: Inés
authors: I
authors: García-Rubio
authors: Departamento de Bioquímica y Biología Molecular y Celular, Universidad de Zaragoza, Zaragoza, Spain; Instituto de Biocomputación y Física de Sistemas Complejos, Universidad de Zaragoza, Zaragoza, Spain.
authors: Milagros
authors: M
authors: Medina
mesh_terms: D000595:Amino Acid Sequence; D017033:Anabaena / Q000737:chemistry; D001426:Bacterial Proteins / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D004138:Dinitrocresols / Q000737:chemistry*; D005420:Flavoproteins / Q000737:chemistry*; D062105:Molecular Docking Simulation; D008969:Molecular Sequence Data; D011485:Protein Binding; D014475:Uncoupling Agents / Q000737:chemistry*
chemical_list: D001426:Bacterial Proteins; D004138:Dinitrocresols; D005420:Flavoproteins; D014475:Uncoupling Agents; C024132:4,6-dinitro-o-cresol