15N solid-state NMR as a probe of flavin H-bonding

Journal of Physical Chemistry B

Volumn 115, Issue 24, 2011, Pages 7788-7798

  Cui, Dongtao ^a   Koder Jr , Ronald L ^b   Dutton, P Leslie ^b   Miller, Anne Frances ^a  

^a UNIVERSITY OF KENTUCKY   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; COENZYMES; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBES; SOLID STATE PHYSICS;

ACTIVE SITE; CHEMICAL SHIFT TENSORS; COFACTORS; DENSITY FUNCTIONALS; FLAVODOXIN; H-BONDING; H-BONDS; ISOTROPIC CHEMICAL SHIFTS; SOLID STATE NMR; SOLUTION NMR;

SOLID STATE REACTIONS;

NITROGEN; RIBOFLAVIN; RIBOFLAVIN DERIVATIVE;

ARTICLE; CHEMISTRY; FREEZING; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; TEMPERATURE;

FLAVINS; FREEZING; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; NITROGEN ISOTOPES; RIBOFLAVIN; TEMPERATURE;

EID: 79959349864     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp202138d     Document Type: Article

References (84)

1. Abbreviations: BSSE, basis set superposition error; calcd, calculated; CP, cross polarization; CSPVs, chemical shift tensor principle values; DBAP, dibenzylamidopyridine; DFT, density functional theory; exptl, experimental; FAD, flavin adenine dinucleotide; FMN, flavin mononucleotide; GIAO, gauge including atomic orbitals; H-bond, hydrogen bond; LF, lumiflavin; MAS, magic angle spinning; MD, molecular dynamics; NBO, natural bond order; NPA, natural population analysis; SSNMR, solid state NMR; TARF, tetraacetylriboflavin; TPARF, tetraphenylacetylriboflavin.
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