Elucidating the mechanism for the reduction of nitrite by copper nitrite reductase - A contribution from quantum chemical studies

Journal of Computational Chemistry

Volumn 28, Issue 2, 2007, Pages 528-539

  De Marothy, S A ^a   Blomberg, M R A ^a   Siegbahn, P E M ^a  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

Author keywords

Copper nitrite reductase; Density functional theory; Enzyme mechanisms; Nitrite reduction

Indexed keywords

COPPER NITRITE REDUCTASE; ENZYME CATALYSIS; ENZYME MECHANISMS; NITRITE REDUCTION;

CATALYSIS; COPPER COMPOUNDS; ELECTRON TRANSPORT PROPERTIES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; REDUCTION;

ENZYMES;

NITRITE; NITRITE REDUCTASE; NITRITE REDUCTASE, COPPER CONTAINING; NITRITE REDUCTASE, COPPER-CONTAINING; PROTON; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; OXIDATION REDUCTION REACTION; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CATALYSIS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITRITE REDUCTASES; NITRITES; OXIDATION-REDUCTION; PROTONS; QUANTUM THEORY;

EID: 33846601806     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20567     Document Type: Article

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