S K-edge XAS and DFT calculations on SAM dependent pyruvate formate-lyase activating enzyme: Nature of interaction between the Fe4S4 cluster and SAM and its role in reactivity

Journal of the American Chemical Society

Volumn 133, Issue 46, 2011, Pages 18656-18662

  Dey, Abhishek ^a,b   Peng, Yi ^c   Broderick, William E ^c   Hedman, Britt ^d   Hodgson, Keith O ^a,d   Broderick, Joan B ^c   Solomon, Edward I ^a,d  

^a STANFORD UNIVERSITY   (United States)

^b DEPARTMENT OF MATERIALS SCIENCE   (India)

^c MONTANA STATE UNIVERSITY   (United States)

^d SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ENZYMES; SPHERES; X RAY ABSORPTION SPECTROSCOPY;

BACK-BONDING; BACK-BONDING INTERACTIONS; DFT CALCULATION; DONOR AND ACCEPTOR; ELECTRON TRANSFER; ELECTRON TRANSFER BARRIERS; INNER SPHERE COMPLEXES; ORBITALS; PYRUVATES; REACTION BARRIERS; REDUCTIVE CLEAVAGE; S ADENOSYL L METHIONINES; SUBSTRATE BINDING; THIOLATES;

FREE RADICAL REACTIONS;

FORMIC ACID; IRON SULFUR PROTEIN; LYASE; PYRUVIC ACID; S ADENOSYLMETHIONINE;

ARTICLE; CHEMICAL REACTION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME SUBSTRATE; MOLECULAR MODEL; OXIDATION; S K EDGE X RAY ABSORPTION SPECTROSCOPY; X RAY ABSORPTION SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

EID: 84961978565     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja203780t     Document Type: Article

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