Structural analysis of the Mn(IV)/Fe(III) cofactor of Chlamydia trachomatis ribonucleotide reductase by extended X-ray absorption fine structure spectroscopy and density functional theory calculations

Journal of the American Chemical Society

Volumn 130, Issue 45, 2008, Pages 15022-15027

  Younker, Jarod M ^a   Krest, Courtney M ^a   Jiang, Wei ^a   Krebs, Carsten ^a   Bollinger Jr , J Martin ^a   Green, Michael T ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; CARBOXYLATION; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC WAVE ABSORPTION; ENERGY ABSORPTION; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; IONS; IRON COMPOUNDS; MANGANESE; MANGANESE COMPOUNDS; METAL IONS; NUCLEIC ACIDS; PORT TERMINALS; PROBABILITY DENSITY FUNCTION; STRUCTURAL ANALYSIS; SULFUR COMPOUNDS; X RAY ABSORPTION; X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY;

A STABLES; ABSORPTION FINE STRUCTURES; CHLAMYDIA TRACHOMATIS; COFACTOR; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATIONS; EXAFS DATUMS; EXPERIMENTAL OBSERVATIONS; PROTONATION STATES; RADICAL MECHANISMS; RIBONUCLEOTIDE REDUCTASES;

CRYSTAL STRUCTURE;

CARBOXYLIC ACID DERIVATIVE; FREE RADICAL; GAMMA 1,3 CARBOXYLIC ACID; HYDROXIDE; IRON; LIGAND; MANGANESE; METAL ION; PROTEIN; RIBONUCLEOTIDE REDUCTASE; UNCLASSIFIED DRUG;

ABSORPTION SPECTROSCOPY; ARTICLE; CHEMICAL BINDING; CHEMICAL BOND; CHLAMYDIA TRACHOMATIS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; PROTON TRANSPORT; STRUCTURE ANALYSIS; X RAY ANALYSIS;

BACTERIAL PROTEINS; CHLAMYDIA TRACHOMATIS; COENZYMES; FERRIC COMPOUNDS; MANGANESE; MODELS, MOLECULAR; PHOTOCHEMICAL PROCESSES; RIBONUCLEOTIDE REDUCTASES; SPECTROMETRY, X-RAY EMISSION;

EID: 57049098226     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja804365e     Document Type: Article

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