Relativistic DFT calculation of the reaction cycle intermediates of [NiFe] hydrogenase: A contribution to understanding the enzymatic mechanism

Journal of Inorganic Biochemistry

Volumn 98, Issue 5, 2004, Pages 862-877

  Stein, Matthias ^a,c   Lubitz, Wolfgang ^b  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

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

^c Anterio Consult Andresearch GmbH   (Germany)

Author keywords

NiFe hydrogenase; Density functional theory; Electron paramagnetic resonance; Enzymatic mechanism; Hydrogen metabolism

Indexed keywords

BORON; CARBON; CARBON MONOXIDE; HYDROGENASE; IRON DERIVATIVE; ISOENZYME; NICKEL;

ATOM; CALCULATION; CATALYSIS; CHEMICAL REACTION; CONFERENCE PAPER; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVITY; ENZYME STRUCTURE; MAGNETISM; NUCLEAR MAGNETIC RESONANCE; OXIDATION REDUCTION REACTION; PROTON TRANSPORT; SPECTROSCOPY; X RAY ANALYSIS;

CARBON MONOXIDE; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DESULFOVIBRIO GIGAS; ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDROGENASE; MODELS, MOLECULAR; MOLECULAR STRUCTURE; OXIDATION-REDUCTION;

EID: 2342552466     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2004.03.002     Document Type: Conference Paper

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