Low potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors

Nat Commun. 2019 May 6;10(1):2074. doi: 10.1038/s41467-019-10078-3.

Abstract

Hydride transfers play a crucial role in a multitude of biological redox reactions and are mediated by flavin, deazaflavin or nicotinamide adenine dinucleotide cofactors at standard redox potentials ranging from 0 to -340 mV. 2-Naphthoyl-CoA reductase, a key enzyme of oxygen-independent bacterial naphthalene degradation, uses a low-potential one-electron donor for the two-electron dearomatization of its substrate below the redox limit of known biological hydride transfer processes at E°' = -493 mV. Here we demonstrate by X-ray structural analyses, QM/MM computational studies, and multiple spectroscopy/activity based titrations that highly cooperative electron transfer (n = 3) from a low-potential one-electron (FAD) to a two-electron (FMN) transferring flavin cofactor is the key to overcome the resonance stabilized aromatic system by hydride transfer in a highly hydrophobic pocket. The results evidence how the protein environment inversely functionalizes two flavins to switch from low-potential one-electron to hydride transfer at the thermodynamic limit of flavin redox chemistry.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bacterial Proteins / chemistry*
  • Bacterial Proteins / isolation & purification
  • Bacterial Proteins / metabolism
  • Coenzymes / chemistry*
  • Coenzymes / metabolism
  • Computer Simulation
  • Crystallography, X-Ray
  • Electron Transport
  • Flavins / chemistry*
  • Flavins / metabolism
  • Models, Molecular*
  • Naphthalenes / chemistry
  • Naphthalenes / metabolism
  • Oxidoreductases / chemistry*
  • Oxidoreductases / isolation & purification
  • Oxidoreductases / metabolism
  • Protein Structure, Tertiary
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / isolation & purification
  • Recombinant Proteins / metabolism
  • Spectrum Analysis

Substances

  • Bacterial Proteins
  • Coenzymes
  • Flavins
  • Naphthalenes
  • Recombinant Proteins
  • naphthalene
  • Oxidoreductases