Mechanistic and physiological implications of the interplay among iron-sulfur clusters in [FeFe]-hydrogenases. A QM/MM perspective

Journal of the American Chemical Society

Volumn 133, Issue 46, 2011, Pages 18742-18749

  Greco, Claudio ^a,b   Bruschi, Maurizio ^a   Fantucci, Piercarlo ^a   Ryde, Ulf ^c   De Gioia, Luca ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b HUMBOLDT UNIVERSITY   (Germany)

^c LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

[FEFE]HYDROGENASES; ACTIVE SITE; CATALYTIC CORE; DESULFOVIBRIO DESULFURICANS; DIHYDROGEN; ELECTRON TRANSFER; H-CLUSTER; HYDROGENASES; INORGANIC CORES; IRON-SULFUR CLUSTERS; ONE-ELECTRON OXIDATION; OXIDATION CATALYSIS; QUANTUM MECHANICAL; REDOX PARTNERS; REDOX PROPERTY;

BINDING ENERGY; ENZYMES; OXIDATION; PHYSIOLOGY; QUANTUM THEORY; SULFUR;

MECHANICAL PROPERTIES;

BACTERIAL ENZYME; IRON HYDROGENASE; IRON SULFUR PROTEIN;

ARTICLE; CATALYSIS; DENSITY FUNCTIONAL THEORY; DESULFOVIBRIO DESULFURICANS; ENZYME ACTIVE SITE; ENZYME ACTIVITY; MOLECULAR MODEL; NONHUMAN; OXIDATION REDUCTION REACTION; QUANTUM MECHANICS;

CATALYTIC DOMAIN; DESULFOVIBRIO DESULFURICANS; HYDROGENASE; IRON-SULFUR PROTEINS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; OXYGEN;

EID: 83055179384     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja205542k     Document Type: Article

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