title: Tunable paramagnetic relaxation enhancements by [Gd(DPA)(3)] (3-) for protein structure analysis.
abstract: Paramagnetic relaxation enhancements (PRE) present a powerful source of structural information in nuclear magnetic resonance (NMR) studies of proteins and protein-ligand complexes. In contrast to conventional PRE reagents that are covalently attached to the protein, the complex between gadolinium and three dipicolinic acid (DPA) molecules, [Gd(DPA)(3)](3-), can bind to proteins in a non-covalent yet site-specific manner. This offers straightforward access to PREs that can be scaled by using different ratios of [Gd(DPA)(3)](3-) to protein, allowing quantitative distance measurements for nuclear spins within about 15 A of the Gd(3+) ion. Such data accurately define the metal position relative to the protein, greatly enhancing the interpretation of pseudocontact shifts induced by [Ln(DPA)(3)](3-) complexes of paramagnetic lanthanide (Ln(3+)) ions other than gadolinium. As an example we studied the quaternary structure of the homodimeric GCN4 leucine zipper.
authors.affiliation: Research School of Chemistry, Australian National University, Canberra, ACT, 0200, Australia.
authors.forename: Hiromasa
authors.initials: H
authors.lastname: Yagi
authors.forename: Karin V
authors.initials: KV
authors.lastname: Loscha
authors.forename: Xun-Cheng
authors.initials: XC
authors.lastname: Su
authors.forename: Mitchell
authors.initials: M
authors.lastname: Stanton-Cook
authors.forename: Thomas
authors.initials: T
authors.lastname: Huber
authors.forename: Gottfried
authors.initials: G
authors.lastname: Otting
mesh_terms: D050976:Basic-Leucine Zipper Transcription Factors / Q000737:chemistry; D016009:Chi-Square Distribution; D003287:Contrast Media / Q000737:chemistry; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods*; D005682:Gadolinium / Q000737:chemistry*; D028581:Lanthanoid Series Elements / Q000737:chemistry; D016350:Leucine Zippers; D008958:Models, Molecular; D009587:Nitrogen Isotopes / Q000737:chemistry; D009942:Organometallic Compounds / Q000737:chemistry*; D010455:Peptides / Q000737:chemistry; D010848:Picolinic Acids / Q000737:chemistry; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D029701:Saccharomyces cerevisiae Proteins / Q000737:chemistry
chemical_list: D050976:Basic-Leucine Zipper Transcription Factors; D003287:Contrast Media; C501391:GCN4 protein, S cerevisiae; D028581:Lanthanoid Series Elements; D009587:Nitrogen Isotopes; D009942:Organometallic Compounds; D010455:Peptides; D010848:Picolinic Acids; D011506:Proteins; D029701:Saccharomyces cerevisiae Proteins; D005682:Gadolinium; C004860:dipicolinic acid
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