Structure-based modeling of protein: DNA specificity

Brief Funct Genomics. 2015 Jan;14(1):39-49. doi: 10.1093/bfgp/elu044. Epub 2014 Nov 19.

Abstract

Protein:DNA interactions are essential to a range of processes that maintain and express the information encoded in the genome. Structural modeling is an approach that aims to understand these interactions at the physicochemical level. It has been proposed that structural modeling can lead to deeper understanding of the mechanisms of protein:DNA interactions, and that progress in this field can not only help to rationalize the observed specificities of DNA-binding proteins but also to allow researchers to engineer novel DNA site specificities. In this review we discuss recent developments in the structural description of protein:DNA interactions and specificity, as well as the challenges facing the field in the future.

Keywords: Binding specificity; Molecular modeling; Protein:DNA interactions; Structural modeling; Structure prediction; Transcription factor binding sites.

Publication types

  • Research Support, N.I.H., Extramural
  • Review

MeSH terms

  • Animals
  • Base Sequence
  • DNA / metabolism*
  • DNA-Binding Proteins / metabolism*
  • Humans
  • Models, Molecular*
  • Molecular Sequence Data
  • Structure-Activity Relationship*
  • Water / chemistry

Substances

  • DNA-Binding Proteins
  • Water
  • DNA