Hemoglobin as a nitrite anhydrase: Modeling methemoglobin-mediated N 2O3 formation

Chemistry - A European Journal

Volumn 17, Issue 23, 2011, Pages 6348-6358

  Hopmann, Kathrin H ^a   Cardey, Bruno ^a   Gladwin, Mark T ^b,c   Kim Shapiro, Daniel B ^d   Ghosh, Abhik ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

^b UNIVERSITY OF PITTSBURGH   (United States)

^c Division of Pulmonary   (United States)

^d WAKE FOREST UNIVERSITY   (United States)

Author keywords

computational chemistry; heme proteins; iron; nitrite anhydrase; reaction mechanisms

Indexed keywords

ANHYDRASE; BIOLOGICAL REACTION; DINITROGEN TRIOXIDE; FERROMAGNETIC AND ANTI-FERROMAGNETIC; HEME PROTEINS; ISOMERIC FORMS; NITRITE ION; NITROGEN DIOXIDES; QUANTUM CHEMICAL MODELING; REACTION CHANNELS; REACTION MECHANISM; REACTION PATHWAYS; RED BLOOD CELL; RED CELLS; RELEVANT REACTIONS; SPIN STATE; SPIN VARIABLES; TRANSITION STATE; TWO-STEP MECHANISMS;

ANTIFERROMAGNETISM; BLOOD; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; HEMOGLOBIN; PORPHYRINS; PROTEINS; QUANTUM CHEMISTRY; STEREOCHEMISTRY;

NITROGEN OXIDES;

HEMOGLOBIN; HEMOPROTEIN; IRON; METHEMOGLOBIN; NITRITE; NITRITE REDUCTASE; NITROGEN OXIDE; NITROGEN TRIOXIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; ELECTRON SPIN RESONANCE; METABOLISM; OXIDATION REDUCTION REACTION;

COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; ELECTRON SPIN RESONANCE SPECTROSCOPY; HEMEPROTEINS; HEMOGLOBINS; IRON; METHEMOGLOBIN; MODELS, MOLECULAR; NITRITE REDUCTASES; NITRITES; NITROGEN OXIDES; OXIDATION-REDUCTION;

EID: 79958222618     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201003578     Document Type: Article

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