Regional conformational flexibility couples substrate specificity and scissile phosphate diester selectivity in human flap endonuclease 1

Nucleic Acids Res. 2018 Jun 20;46(11):5618-5633. doi: 10.1093/nar/gky293.

Abstract

Human flap endonuclease-1 (hFEN1) catalyzes the divalent metal ion-dependent removal of single-stranded DNA protrusions known as flaps during DNA replication and repair. Substrate selectivity involves passage of the 5'-terminus/flap through the arch and recognition of a single nucleotide 3'-flap by the α2-α3 loop. Using NMR spectroscopy, we show that the solution conformation of free and DNA-bound hFEN1 are consistent with crystal structures; however, parts of the arch region and α2-α3 loop are disordered without substrate. Disorder within the arch explains how 5'-flaps can pass under it. NMR and single-molecule FRET data show a shift in the conformational ensemble in the arch and loop region upon addition of DNA. Furthermore, the addition of divalent metal ions to the active site of the hFEN1-DNA substrate complex demonstrates that active site changes are propagated via DNA-mediated allostery to regions key to substrate differentiation. The hFEN1-DNA complex also shows evidence of millisecond timescale motions in the arch region that may be required for DNA to enter the active site. Thus, hFEN1 regional conformational flexibility spanning a range of dynamic timescales is crucial to reach the catalytically relevant ensemble.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalytic Domain
  • Cations, Divalent / chemistry
  • DNA / chemistry
  • DNA / metabolism
  • Flap Endonucleases / chemistry*
  • Flap Endonucleases / metabolism
  • Fluorescence Resonance Energy Transfer
  • Humans
  • Models, Molecular
  • Nuclear Magnetic Resonance, Biomolecular
  • Phosphates / chemistry
  • Protein Conformation
  • Protein Structure, Secondary
  • Substrate Specificity

Substances

  • Cations, Divalent
  • Phosphates
  • DNA
  • Flap Endonucleases
  • FEN1 protein, human