About: Influence of the O-phosphorylation of serine, threonine and tyrosine in proteins on the amidic N-15 chemical shielding anisotropy tensors     Goto   Sponge   NotDistinct   Permalink

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  • Density functional theory was employed to study the influence of O-phosphorylation of serine, threonine, and tyrosine on the amidic N-15 chemical shielding anisotropy (CSA) tensor in the context of the complex chemical environments of protein structures. Our results indicate that the amidic N-15 CSA tensor has sensitive responses to the introduction of the phosphate group and the phosphorylation-promoted rearrangement of solvent molecules and hydrogen bonding networks in the vicinity of the phosphorylated site. Yet, the calculated N-15 CSA tensors in phosphorylated model peptides were in range of values experimentally observed for non-phosphorylated proteins.
  • Density functional theory was employed to study the influence of O-phosphorylation of serine, threonine, and tyrosine on the amidic N-15 chemical shielding anisotropy (CSA) tensor in the context of the complex chemical environments of protein structures. Our results indicate that the amidic N-15 CSA tensor has sensitive responses to the introduction of the phosphate group and the phosphorylation-promoted rearrangement of solvent molecules and hydrogen bonding networks in the vicinity of the phosphorylated site. Yet, the calculated N-15 CSA tensors in phosphorylated model peptides were in range of values experimentally observed for non-phosphorylated proteins. (en)
Title
  • Influence of the O-phosphorylation of serine, threonine and tyrosine in proteins on the amidic N-15 chemical shielding anisotropy tensors
  • Influence of the O-phosphorylation of serine, threonine and tyrosine in proteins on the amidic N-15 chemical shielding anisotropy tensors (en)
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  • Influence of the O-phosphorylation of serine, threonine and tyrosine in proteins on the amidic N-15 chemical shielding anisotropy tensors
  • Influence of the O-phosphorylation of serine, threonine and tyrosine in proteins on the amidic N-15 chemical shielding anisotropy tensors (en)
skos:notation
  • RIV/00216224:14740/13:00068469!RIV14-MSM-14740___
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  • I, P(ED1.1.00/02.0068), P(GAP205/10/0228)
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  • 1
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  • 80002
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  • RIV/00216224:14740/13:00068469
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  • CSA; Phosphorylation; Amidic nitrogen; Serine; Threonine; Tyrosine; Protein; NMR (en)
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  • NL - Nizozemsko
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  • [C363881AFAD8]
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  • Journal of biomolecular NMR
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  • 55
http://linked.open...iv/tvurceVysledku
  • Benda, Ladislav
  • Koča, Jaroslav
  • Sychrovský, Vladimír
  • Sklenář, Vladimír
  • Kříž, Zdeněk
  • Trantírek, Lukáš
  • Boelens, Rolf
  • Emmer, Jiří
  • Vavrinská, Andrea
http://linked.open...ain/vavai/riv/wos
  • 000314050700006
issn
  • 0925-2738
number of pages
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  • 10.1007/s10858-012-9686-6
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  • 14740
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