Mechanistic studies on the flavin:NADH reductase (PrnF) from Pseudomonas fluorescens involved in arylamine oxygenation

Manish Kumar Tiwari, Raushan Kumar Singh, Jung-Kul Lee, Huimin Zhao

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

We report the mechanistic studies of a FAD: NADH reductase (PrnF) involved in arylamine oxygenation. PrnF catalyzes the reduction of FAD via a sequential ordered bi-bi mechanism with NADH as the first substrate to bind and FADH(2) as the first product to be released. The residues Asp145 and His146 are proposed as catalytic acid/base residues for PrnF based on pH profile and molecular dynamics simulation studies. These studies provide the first detailed account of the mechanism of the flavin reductase involved in arylamine oxygenation. (C) 2011 Elsevier Ltd. All rights reserved.
Original languageEnglish
JournalBioorganic & Medicinal Chemistry Letters
Volume22
Issue number3
Pages (from-to)1344-1347
ISSN0960-894X
DOIs
Publication statusPublished - 2012
Externally publishedYes

Keywords

  • Amines
  • Binding Sites
  • FMN Reductase
  • Hydrogen-Ion Concentration
  • Mixed Function Oxygenases
  • Models, Molecular
  • Molecular Structure
  • Oxygen
  • Pseudomonas fluorescens
  • EC 1.- Mixed Function Oxygenases
  • EC 1.14.13.- arylamine N-hydroxylase
  • EC 1.5.1.38 FMN Reductase
  • S88TT14065 Oxygen
  • aromatic amine
  • flavine adenine nucleotide
  • reduced nicotinamide adenine dinucleotide
  • article
  • catalysis
  • enzyme inhibition
  • enzyme substrate complex
  • hydrogen bond
  • molecular dynamics
  • nonhuman
  • oxygenation
  • pH measurement
  • steady state
  • Arylamine oxygenation
  • FAD:NADH reductase
  • Reaction mechanism
  • enzyme mechanistic property
  • protein-protein interaction
  • sequential ordered bi-bi mechanism
  • Facultatively Anaerobic Gram-Negative Rods Eubacteria Bacteria Microorganisms (Bacteria, Eubacteria, Microorganisms) - Enterobacteriaceae [06702] Escherichia coli species strain-BL21-DE3
  • Gram-Negative Aerobic Rods and Cocci Eubacteria Bacteria Microorganisms (Bacteria, Eubacteria, Microorganisms) - Pseudomonadaceae [06508] Pseudomonas fluorescens species
  • arylamine oxygenation
  • FAD-NADH reductase histidine-146 residue, aspartic acid-145 residue
  • FADH2 1910-41-4
  • flavin reductase 56626-29-0 EC 1.5.1.30
  • NADH reductase 9055-49-6
  • 04500, Mathematical biology and statistical methods
  • 10064, Biochemistry studies - Proteins, peptides and amino acids
  • 10515, Biophysics - Biocybernetics
  • 10802, Enzymes - General and comparative studies: coenzymes
  • 31000, Physiology and biochemistry of bacteria
  • Biochemistry and Molecular Biophysics
  • Computational Biology
  • molecular dynamics simulation mathematical and computer techniques
  • protein engineering laboratory techniques, genetic techniques
  • X-ray crystallography laboratory techniques, crystallographic techniques
  • Enzymology
  • Models and Simulations
  • CHEMISTRY,
  • 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE
  • PYRROLNITRIN PRODUCTION
  • FUNCTIONAL-ANALYSIS
  • ESCHERICHIA-COLI
  • OXIDOREDUCTASE
  • MONOOXYGENASE
  • OXIDATION
  • COMPONENT
  • BINDING
  • HPAC

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