Molecular mechanism of the glycosylation step catalyzed by Golgi α-mannosidase II: A QM/MM metadynamics investigation

Journal of the American Chemical Society

Volumn 132, Issue 24, 2010, Pages 8291-8300

  Petersen, Luis ^a   Ardévol, Albert ^b   Rovira, Carme ^b,c   Reilly, Peter J ^a  

^a Iowa State University of Science and Technology   (United States)

^b UNIVERSITY OF BARCELONA   (Spain)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; FREE ENERGY; GLYCOSYLATION; MOLECULAR MODELING; QUANTUM THEORY; REACTION INTERMEDIATES;

FREE ENERGY OF ACTIVATIONS; GLYCOSIDE HYDROLASES; GLYCOSYLATION REACTIONS; METADYNAMICS SIMULATIONS; MOLECULAR MECHANISM; N-LINKED GLYCOSYLATION; NUCLEOPHILIC ATTACK; QUANTUM MECHANICS/MOLECULAR MECHANICS;

SUBSTRATES;

ALPHA MANNOSIDASE; BETA MANNOSIDASE; GOLGI ALPHA MANNOSIDASE II; HYDROGEN; OXYGEN; UNCLASSIFIED DRUG; ZINC ION;

ARTICLE; CATALYSIS; CHEMICAL REACTION; COMPARATIVE STUDY; CONFORMATION; CONTROLLED STUDY; ELECTRON; ELECTRONICS; ENERGY; EXPERIMENT; GLYCOSYLATION; INTROSPECTION; MICHAELIS CONSTANT; MOLECULAR MECHANICS; NONHUMAN; QUANTUM MECHANICS; SIMULATION; SPECIES;

EID: 77953625237     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja909249u     Document Type: Article

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