title: NMR-spectroscopic mapping of an engineered cavity in the I14A mutant of HPr from Staphylococcus carnosus using xenon.
abstract: The interaction between the histidine-containing phosphocarrier protein HPr and xenon atoms in solution is studied in the present paper. Wild-type HPr as well as the exchange mutant I14A have been studied. Specific binding of xenon into an engineered cavity created via the exchange of amino acid residue I14 by alanine could be shown using 1H-15N heteronuclear single-quantum coherence (HSQC) spectroscopy. Xenon binding results in pronounced changes of the 1H and 15N chemical shifts of amide groups close to the cavity. In addition to this observation which allows the NMR-spectroscopic mapping of such cavities, we have shown that the entire molecule is slightly rearranged as a result of xenon binding. In contrast, wild-type HPr only exhibits minor chemical shift changes due to the nonspecific interactions with the xenon atoms in solution.
authors.affiliation: Institute of Biophysics and Physical Biochemistry, University of Regensburg, D-93040, Regensburg, Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Gröger
authors.forename: Andreas
authors.initials: A
authors.lastname: Möglich
authors.forename: Miguel
authors.initials: M
authors.lastname: Pons
authors.forename: Brigitte
authors.initials: B
authors.lastname: Koch
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Hengstenberg
authors.forename: Hans Robert
authors.initials: HR
authors.lastname: Kalbitzer
authors.forename: Eike
authors.initials: E
authors.lastname: Brunner
mesh_terms: D000409:Alanine / Q000737:chemistry; D019943:Amino Acid Substitution; D001426:Bacterial Proteins; D057927:Hydrophobic and Hydrophilic Interactions; D007532:Isoleucine / Q000737:chemistry; D009587:Nitrogen Isotopes; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D010731:Phosphoenolpyruvate Sugar Phosphotransferase System / Q000737:chemistry* / Q000235:genetics; D015202:Protein Engineering; D011522:Protons; D013210:Staphylococcus / Q000737:chemistry*; D014978:Xenon / Q000737:chemistry*
chemical_list: D001426:Bacterial Proteins; D009587:Nitrogen Isotopes; D011522:Protons; D007532:Isoleucine; D014978:Xenon; D010731:Phosphoenolpyruvate Sugar Phosphotransferase System; C030182:phosphocarrier protein HPr; D000409:Alanine