Theoretical study of the mechanism of the hydride transfer between ferredoxin-NADP+ reductase and NADP+: The role of Tyr303

Journal of the American Chemical Society

Volumn 134, Issue 50, 2012, Pages 20544-20553

  Lans, Isaias ^a   Medina, Milagros ^a   Rosta, Edina ^b   Hummer, Gerhard ^c   Garcia Viloca, Mireia ^d   Lluch, José M ^d   González Lafont, Àngels ^d  

^a UNIVERSITY OF ZARAGOZA   (Spain)

^b KING'S COLLEGE LONDON   (United Kingdom)

^c NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

^d UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; CHARGE TRANSFER COMPLEX; COFACTORS; ELECTRON TRANSFER; HYBRID APPROACH; HYDRIDE TRANSFER RATES; HYDRIDE TRANSFERS; MICROSCOPIC SIMULATION; PHOTOSYNTHETIC REACTION; POTENTIAL OF MEAN FORCE; REVERSE REACTIONS; REVERSIBLE PROCESS; STRING METHODS; STRUCTURAL DETAILS; STRUCTURAL MODELS; THEORETICAL APPROACH; THEORETICAL STUDY; TRANSITION STATE; WILD TYPES;

CHARGE TRANSFER; ENZYME ACTIVITY; MODEL STRUCTURES; MOLECULAR DYNAMICS; PHOTOSYNTHESIS; QUANTUM CHEMISTRY; RATE CONSTANTS; REACTION KINETICS;

HYDRIDES;

FERREDOXIN NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE REDUCTASE; FLAVINE ADENINE NUCLEOTIDE; NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; NUCLEOTIDE; TYROSINE;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHOTOSYNTHESIS; SIMULATION; SOLVATION; THEORETICAL STUDY;

FERREDOXIN-NADP REDUCTASE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; NADP; TYROSINE;

EID: 84871387422     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja310331v     Document Type: Article

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