NMR and DFT investigation of heme ruffling: Functional implications for cytochrome c

Journal of the American Chemical Society

Volumn 132, Issue 28, 2010, Pages 9753-9763

  Liptak, Matthew D ^a   Wen, Xin ^a,b   Bren, Kara L ^a  

^a UNIVERSITY OF ROCHESTER   (United States)

^b CALIFORNIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COFACTORS; COORDINATION SPHERE; CYTOCHROME C; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON PARAMAGNETIC RESONANCE; ELECTRONIC COUPLING; EPR PARAMETERS; EXPERIMENTAL OBSERVATION; HEME COFACTOR; HEME PROTEINS; HYDROGENOBACTER THERMOPHILUS; HYPERFINE SHIFT; MESO-CARBONS; ONE-AND TWO-DIMENSIONAL NMR; ORBITALS; OUT-OF-PLANE; REDOX PARTNERS; REDUCTION POTENTIAL; SPIN DENSITIES; THEORETICAL MODELS;

AMINO ACIDS; CHEMICAL BONDS; DEFORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC STRUCTURE; HEMOGLOBIN; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC ACIDS; PARAMAGNETIC RESONANCE; RESONANCE; SPHERES;

PORPHYRINS;

AMINO ACID; CARBON; CYTOCHROME C; CYTOCHROME C552; HEME; IRON; PORPHYRIN DERIVATIVE; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BACTERIUM; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL PARAMETERS; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRON SPIN RESONANCE; HEME RUFFLING; HYDROGENOBACTER THERMOPHILUS; MOLECULAR DYNAMICS; MOLECULAR MODEL; MUTATION; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXIDATION REDUCTION POTENTIAL; PROTEIN ANALYSIS; PROTON NUCLEAR MAGNETIC RESONANCE; THEORETICAL MODEL;

CYTOCHROMES C; ELECTRON SPIN RESONANCE SPECTROSCOPY; HEME; MODELS, THEORETICAL; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR;

EID: 77954640211     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja102098p     Document Type: Article

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