A novel, rationally designed lanthanoid chelating tag delivers large paramagnetic structural restraints for biomolecular NMR

Chem Commun (Camb). 2020 Oct 28;56(84):12861-12864. doi: 10.1039/d0cc04337k. Epub 2020 Sep 24.

Abstract

Herein, a novel and rationally designed ortho-substituted pyridine activator is reported that reacts rapidly and selectively with cysteine thiols. It forms reduction-stable conjugates and induces large pseudocontact shifts, residual dipolar couplings and paramagnetic relaxation enhancement on both ubiquitin S57C and human carbonic anhydrase II S50C constructs under physiological conditions.

MeSH terms

  • Alkylation
  • Anisotropy
  • Carbonic Anhydrase II / chemistry*
  • Chelating Agents / chemistry*
  • Coordination Complexes / chemistry*
  • Cysteine / chemistry
  • Humans
  • Indicators and Reagents / chemistry*
  • Lanthanoid Series Elements / chemistry*
  • Models, Molecular
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Oxidation-Reduction
  • Protein Conformation
  • Pyridines / chemistry
  • Sulfhydryl Compounds / chemistry
  • Ubiquitin / chemistry

Substances

  • Chelating Agents
  • Coordination Complexes
  • Indicators and Reagents
  • Lanthanoid Series Elements
  • Pyridines
  • Sulfhydryl Compounds
  • Ubiquitin
  • Carbonic Anhydrase II
  • CA2 protein, human
  • Cysteine
  • pyridine