Retaining glycosyltransferase mechanism studied by QM/MM methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition state

Journal of the American Chemical Society

Volumn 134, Issue 10, 2012, Pages 4743-4752

  Gómez, Hansel ^a   Polyak, Iakov ^b   Thiel, Walter ^b   Lluch, José M ^a   Masgrau, Laura ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANOMERIC CARBON; ANOMERICS; CATALYTIC BASE; DENSITY FUNCTIONAL THEORIES (DFT); DISPLACEMENT MECHANISMS; DRUG TARGETS; EXPERIMENTAL DATA; GLYCOSIDIC BOND; GLYCOSYL TRANSFERASE; GLYCOSYL-ENZYME INTERMEDIATE; GLYCOSYLTRANSFERASES; LEAVING GROUPS; NEISSERIA MENINGITIDES; OXOCARBENIUM; QM/MM METHOD; REACTION CATALYZED; REACTION MECHANISM; TRANSITION STATE;

BIOCHEMISTRY; MOLECULAR MODELING; SUBSTRATES; SUGARS;

ENZYMES;

3 DEOXYLACTOSE; GALACTOSE; GLUTAMINE; GLYCOSYLTRANSFERASE; LACTOSE; LIPOPOLYSACCHARYL ALPHA 1,4 GALACTOSYLTRANSFERASE C; NUCLEOPHILE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; DENSITY FUNCTIONAL THEORY; ENZYME SUBSTRATE; ION DISPLACEMENT; MOLECULAR MECHANICS; MUTAGENESIS; NEISSERIA MENINGITIDIS; NONHUMAN; QUANTUM MECHANICS;

CATALYSIS; GALACTOSE; GLYCOSYLTRANSFERASES; MODELS, MOLECULAR; MUTATION; QUANTUM THEORY;

EID: 84858218497     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja210490f     Document Type: Article

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