Hydrogen bonding and spin density distribution in the Q B semiquinone of bacterial reaction centers and comparison with the Q A site

Journal of the American Chemical Society

Volumn 133, Issue 14, 2011, Pages 5525-5537

  Martin, Erik ^a   Samoilova, Rimma I ^b   Narasimhulu, Kupala V ^a   Lin, Tzu Jen ^c   OMalley, Patrick J ^c   Wraight, Colin A ^a   Dikanov, Sergei A ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b INSTITUTE OF CHEMICAL KINETICS AND COMBUSTION   (Russian Federation)

^c UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

[CARBONYL; ASYMMETRIC DISTRIBUTION; BACTERIAL REACTION; DENSITY FUNCTIONALS; ELECTRON ACCEPTOR; EXCHANGEABLE PROTONS; EXPERIMENTAL DATA; HIGH SPINS; HYDROGEN BONDING INTERACTIONS; HYDROGEN BONDINGS; HYPERFINE COUPLING; HYPERFINE TENSORS; HYSCORE; PHOTOSYNTHETIC REACTION CENTER; PULSED EPR; REACTION CENTER; RHODOBACTER SPHAEROIDES; SEMIQUINONES; SPECTRAL FEATURE; SPIN DENSITIES; SPIN DENSITY DISTRIBUTIONS; STRUCTURAL MODELS; UBIQUINONE;

CARBONYLATION; COUPLINGS; HYDROGEN; MODEL STRUCTURES; MOLECULAR MODELING; PEPTIDES; PHOTOSYNTHESIS; PROTONS;

HYDROGEN BONDS;

CARBONYL DERIVATIVE; FERROUS ION; GLYCINE DERIVATIVE; PROTON; SEMIQUINONE; SERINE DERIVATIVE; SOLVENT; UBIDECARENONE; WATER; ZINC ION;

ANISOTROPY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; HYDROGEN BOND; MOLECULAR MECHANICS; PHOTOSYNTHESIS; PROTON TRANSPORT; QUANTUM MECHANICS; RHODOBACTER SPHAEROIDES; SPIN DENSITY DISTRIBUTION;

BENZOQUINONES; ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDROGEN BONDING; MODELS, MOLECULAR; PHOTOSYNTHETIC REACTION CENTER COMPLEX PROTEINS; PROTEIN CONFORMATION; PROTONS; QUANTUM THEORY; RHODOBACTER SPHAEROIDES;

EID: 79953691142     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja2001538     Document Type: Article

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