ENDOR spectroscopy and DFT calculations: Evidence for the hydrogen-bond network within α2 in the PCET of E. coli ribonucleotide reductase

Journal of the American Chemical Society

Volumn 134, Issue 42, 2012, Pages 17661-17670

  Argirević, Tomislav ^a   Riplinger, Christoph ^b   Stubbe, JoAnne ^c   Neese, Frank ^b   Bennati, Marina ^a,d  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^c MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^d UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CLASS I; CLOSE PROXIMITY; COFACTORS; COMBINED EFFECT; CYTIDINE; DFT CALCULATION; DIPHOSPHATES; E. COLI; ELECTRON NUCLEAR DOUBLE RESONANCE; ENDOR SPECTROSCOPY; EXPERIMENTAL EVIDENCE; G-VALUES; HYDROGEN BOND NETWORKS; PROTON-COUPLED ELECTRON TRANSFER; QUANTUM CHEMICAL CALCULATIONS; REDUCTION PROCESS; RIBONUCLEOTIDE REDUCTASE; STRUCTURAL DATA; SUBUNIT INTERFACES; THIYL RADICALS; TRANSFER PROCESS; TRIPHOSPHATE; TYROSYL RADICALS; WATER MOLECULE;

AMINO ACIDS; DENSITY FUNCTIONAL THEORY; ESCHERICHIA COLI; FREE RADICAL REACTIONS; HYDROGEN BONDS; PROTONS; QUANTUM CHEMISTRY;

C (PROGRAMMING LANGUAGE);

ADENOSINE TRIPHOSPHATE; CYTIDINE DIPHOSPHATE; HYDROGEN; PROTON; RIBONUCLEOTIDE REDUCTASE; TYROSINE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON NUCLEAR DOUBLE RESONANCE; ESCHERICHIA COLI; HYDROGEN BOND; MOLECULE;

CRYSTALLOGRAPHY, X-RAY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONS; ESCHERICHIA COLI; HYDROGEN BONDING; MODELS, MOLECULAR; PROTONS; QUANTUM THEORY; RIBONUCLEOTIDE REDUCTASES;

EID: 84867818842     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja3071682     Document Type: Article

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