Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory

Journal of Biological Inorganic Chemistry

Volumn 18, Issue 6, 2013, Pages 693-700

  Miyake, Toshiko ^a   Bruschi, Maurizio ^b   Cosentino, Ugo ^b   Baffert, Carole ^c   Fourmond, Vincent ^c   Léger, Christophe ^c   Moro, Giorgio ^b   De Gioia, Luca ^b   Greco, Claudio ^b  

^a IBZ Berlin Adlershof   (Germany)

^b UNIVERSITY OF MILANO BICOCCA   (Italy)

^c AIX MARSEILLE UNIVERSITY   (France)

Author keywords

Density functional theory; Hydrogen; Hydrogenases; Iron sulfur cluster

Indexed keywords

AMINE; IRON HYDROGENASE;

ACCURACY; ARTICLE; ATOM; CHEMICAL COMPOSITION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; ENZYME LOCALIZATION; ENZYME STABILITY; HYDROGEN BOND; INHIBITION KINETICS; ISOMERIZATION; OXIDATION REDUCTION STATE; PRIORITY JOURNAL;

AMINES; BIOCATALYSIS; HYDROGEN; HYDROGENASE; IRON-SULFUR PROTEINS; QUANTUM THEORY;

EID: 84881173030     PISSN: 09498257     EISSN: 14321327     Source Type: Journal    
DOI: 10.1007/s00775-013-1014-4     Document Type: Article

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