Computational construction of 3D chromatin ensembles and prediction of functional interactions of alpha-globin locus from 5C data

Nucleic Acids Res. 2017 Nov 16;45(20):11547-11558. doi: 10.1093/nar/gkx784.

Abstract

Conformation capture technologies measure frequencies of interactions between chromatin regions. However, understanding gene-regulation require knowledge of detailed spatial structures of heterogeneous chromatin in cells. Here we describe the nC-SAC (n-Constrained-Self Avoiding Chromatin) method that transforms experimental interaction frequencies into 3D ensembles of chromatin chains. nC-SAC first distinguishes specific from non-specific interaction frequencies, then generates 3D chromatin ensembles using identified specific interactions as spatial constraints. Application to α-globin locus shows that these constraints (∼20%) drive the formation of ∼99% all experimentally captured interactions, in which ∼30% additional to the imposed constraints is found to be specific. Many novel specific spatial contacts not captured by experiments are also predicted. A subset, of which independent ChIA-PET data are available, is validated to be RNAPII-, CTCF-, and RAD21-mediated. Their positioning in the architectural context of imposed specific interactions from nC-SAC is highly important. Our results also suggest the presence of a many-body structural unit involving α-globin gene, its enhancers, and POL3RK gene for regulating the expression of α-globin in silent cells.

MeSH terms

  • CCCTC-Binding Factor / metabolism
  • Cell Cycle Proteins
  • Cell Line, Tumor
  • Chromatin / chemistry*
  • Computational Biology / methods*
  • DNA-Binding Proteins
  • DNA-Directed DNA Polymerase / genetics*
  • DNA-Directed DNA Polymerase / metabolism
  • Gene Expression Regulation
  • Humans
  • K562 Cells
  • Nuclear Proteins / metabolism
  • Phosphoproteins / metabolism
  • Protein Conformation
  • Regulatory Sequences, Nucleic Acid / genetics*
  • alpha-Globins / biosynthesis
  • alpha-Globins / chemistry*
  • alpha-Globins / genetics*

Substances

  • CCCTC-Binding Factor
  • CTCF protein, human
  • Cell Cycle Proteins
  • Chromatin
  • DNA-Binding Proteins
  • Nuclear Proteins
  • Phosphoproteins
  • RAD21 protein, human
  • alpha-Globins
  • DNA-Directed DNA Polymerase