The axial methionine ligand may control the redox reorganizations in the active site of blue copper proteins

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Ando, Koji ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR ORBITAL CALCULATION; ACTIVE SITE; ADIABATIC CONNECTION; ARRHENIUS; BLUE-COPPER PROTEINS; CCSD; CLASSICAL MOLECULAR DYNAMICS; COPPER PROTEINS; DENSITY FUNCTIONALS; ELECTRON TRANSFER RATES; EXCHANGE-CORRELATION FUNCTIONALS; HARTREE-FOCK EXCHANGES; LONG-RANGE CORRECTIONS; MODEL COMPLEXES; ORDER OF MAGNITUDE; PHOTOSYSTEM I; PLASTOCYANINS; REDOX STATE; REORGANIZATION ENERGIES; STRUCTURAL INSTABILITY; STRUCTURE AND ENERGETICS;

AMINO ACIDS; LIGANDS; MOLECULAR DYNAMICS; MOLECULAR ORBITALS; PROTEINS; REACTION KINETICS; REDOX REACTIONS;

IONIZATION POTENTIAL;

CARRIER PROTEIN; COPPER; COPPER BINDING PROTEIN; COPPER-BINDING PROTEIN; CYSTEINE; CYTOCHROME F; HISTIDINE; LIGAND; METHIONINE; NITROGEN; PLASTOCYANIN; SULFUR;

ALGORITHM; ARTICLE; CHEMISTRY; ELECTRON TRANSPORT; ENZYME ACTIVE SITE; METABOLISM; MOLECULAR DYNAMICS; OXIDATION REDUCTION REACTION;

ALGORITHMS; CARRIER PROTEINS; CATALYTIC DOMAIN; COPPER; CYSTEINE; CYTOCHROMES F; ELECTRON TRANSPORT; HISTIDINE; LIGANDS; METHIONINE; MOLECULAR DYNAMICS SIMULATION; NITROGEN; OXIDATION-REDUCTION; PLASTOCYANIN; SULFUR;

EID: 78650661741     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3495983     Document Type: Article

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