Comparing the electronic properties of the low-spin cyano-ferric [Fe(N 4)(Cys)] active sites of superoxide reductase and P450cam using ENDOR spectroscopy and DFT calculations

Journal of the American Chemical Society

Volumn 128, Issue 51, 2006, Pages 16566-16578

  Yang, Tran Chin ^d   McNaughton, Rebecca L ^d   Clay, Michael D ^a   Jenney Jr , Francis E ^b   Krishnan, Rangan ^a   Kurtz Jr , Donald M ^c   Adams, Michael W W ^b   Johnson, Michael K ^a   Hoffman, Brian M ^d  

^a UNIVERSITY OF GEORGIA   (United States)

^b University of Texas at San Antonio ^*  (United States)

^c UNIVERSITY OF TEXAS AT SAN ANTONIO   (United States)

^d NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYANIDE BINDING; LIGANDS; SEMIEMPIRICAL EQUATION; SPIN DENSITIES;

AMINO ACIDS; BINDING ENERGY; CARRIER CONCENTRATION; CATALYST ACTIVITY; PARAMAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS;

IRON COMPOUNDS;

CAMPHOR 5 MONOOXYGENASE; CYANIC ACID DERIVATIVE; CYANIDE; CYANOFERRIC DERIVATIVE; CYSTEINYL THIOLATE SULFUR DERIVATIVE; CYTOCHROME P450; FERRIC FERROCYANIDE; FERRIC SULFIDE; HISTIDINE; LIGAND; NITROGEN 13; SULFIDE; SULFUR DERIVATIVE; SUPEROXIDE DISMUTASE; SUPEROXIDE REDUCTASE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL BINDING; DENSITY FUNCTIONAL THEORY; ELECTRON NUCLEAR DOUBLE RESONANCE; ELECTRON SPIN RESONANCE; ENZYME ACTIVE SITE; MOLECULAR MECHANICS; MOLECULAR MODEL; REACTION ANALYSIS;

BINDING SITES; CAMPHOR 5-MONOOXYGENASE; CRYSTALLOGRAPHY, X-RAY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONS; FERRIC COMPOUNDS; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXIDOREDUCTASES; SENSITIVITY AND SPECIFICITY; STEREOISOMERISM;

EID: 33845940402     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja064656p     Document Type: Article

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