Spectroscopic and computational evaluation of the structure of the high-spin Fe(IV)-oxo intermediates in taurine: α-ketoglutarate dioxygenase from Escherichia coli and its His99Ala ligand variant

Journal of the American Chemical Society

Volumn 129, Issue 19, 2007, Pages 6168-6179

  Sinnecker, Sebastian ^a   Svensen, Nina ^b   Barr, Eric W ^b   Ye, Shengfa ^a,c   Bollinger Jr , J Martin ^b   Neese, Frank ^a,c   Krebs, Carsten ^b,c  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ENZYMES; LIGANDS; MOSSBAUER SPECTROSCOPY; SULFUR COMPOUNDS;

ALANINE; FE(IV) COORDINATION SPHERE; IMIDAZOLE; SPECTROSCOPIC PARAMETERS;

IRON COMPOUNDS;

2 OXOGLUTARIC ACID; ALANINE; ASPARTIC ACID; CARBOXYLIC ACID DERIVATIVE; DIOXYGENASE; FERROUS ION; HISTIDINE; IMIDAZOLE; LIGAND; SUCCINIC ACID; TAURINE; WATER;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL MODEL; DENSITY FUNCTIONAL THEORY; ENZYME STRUCTURE; ESCHERICHIA COLI; GEOMETRY; MATHEMATICAL MODEL; MOSSBAUER SPECTROSCOPY; PROTEIN EXPRESSION; PROTEIN STRUCTURE; PROTEIN VARIANT; QUADRUPOLE MASS SPECTROMETRY;

ALANINE; AMINO ACID SUBSTITUTION; COMPUTATIONAL BIOLOGY; ESCHERICHIA COLI; HISTIDINE; HYDROGEN BONDING; IRON; LIGANDS; MIXED FUNCTION OXYGENASES; MODELS, CHEMICAL; NONHEME IRON PROTEINS; OXYGEN; SPECTROSCOPY, MOSSBAUER;

EID: 34249098665     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja067899q     Document Type: Article

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