Toward a chemical mechanism of proton pumping by the B-type cytochrome c oxidases: Application of density functional theory to cytochrome ba3 of Thermus thermophilus

Journal of the American Chemical Society

Volumn 130, Issue 45, 2008, Pages 15002-15021

  Fee, James A ^a   Case, David A ^a   Noodleman, Louis ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON NANOTUBES; COPPER; ELECTRIC POWER PLANTS; IRON COMPOUNDS; LIPID BILAYERS; PORPHYRINS; PROBABILITY DENSITY FUNCTION; PROTONS; REDUCTION; STRUCTURAL OPTIMIZATION;

CATALYTIC CYCLES; CHEMICAL MECHANISMS; CYTOCHROME C OXIDASES; DINUCLEAR CENTERS; ELECTROCHEMICAL PROTON GRADIENTS; ELECTRON REDUCTIONS; GEOMETRY OPTIMIZATIONS; IMIDAZOLE RINGS; NET CHARGES; OXIDIZED ENZYMES; POSITIVE CHARGES; REACTION FREE ENERGIES;

DENSITY FUNCTIONAL THEORY;

COPPER; CYTOCHROME C OXIDASE; FERRIC FERROCYANIDE; IMIDAZOLE; IRON; OXYGEN; PROTON; PROTON PUMP; WATER;

ARTICLE; CATALYSIS; CHEMICAL ANALYSIS; CHEMICAL BINDING; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; ENZYME METABOLISM; GEOMETRY; PEROXIDATION; THERMUS THERMOPHILUS;

BACTERIAL PROTEINS; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME B GROUP; ELECTRON TRANSPORT COMPLEX IV; MODELS, CHEMICAL; MODELS, MOLECULAR; OXYGEN; PROTON PUMPS; THERMODYNAMICS; THERMUS THERMOPHILUS;

EID: 57349108758     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja803112w     Document Type: Article

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