A QM/MM investigation of the catalytic mechanism of metal-ion-independent core 2 β1,6-N-acetylglucosaminyltransferase

Chemistry - A European Journal

Volumn 19, Issue 25, 2013, Pages 8153-8162

  Tvaroška, Igor ^a,b   Kozmon, Stanislav ^a,b   Wimmerová, Michaela ^b   Koča, Jaroslav ^b  

^a INSTITUTE OF CHEMISTRY   (Slovakia)

^b MASARYK UNIVERSITY   (Czech Republic)

Author keywords

computer chemistry; density functional calculations; molecular modeling; reaction mechanisms; transferases; transition state

Indexed keywords

CATALYTIC MECHANISMS; COMPUTER CHEMISTRY; DENSITY FUNCTIONAL THEORIES (DFT); GLYCOSYL TRANSFERASE; LOW-BARRIER HYDROGEN BONDS; REACTION MECHANISM; TRANSFERASES; TRANSITION STATE;

ACTIVATION ENERGY; ATOMS; BIOCHEMISTRY; DENSITY FUNCTIONAL THEORY; ENZYMES; HYDROGEN BONDS; IONS; MODEL STRUCTURES; MOLECULAR GRAPHICS; MOLECULAR MODELING; POLYSACCHARIDES; QUANTUM CHEMISTRY; QUANTUM THEORY;

CATALYSIS;

ION; METAL; N ACETYLGLUCOSAMINYLTRANSFERASE;

ARTICLE; BIOCATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME SPECIFICITY; HUMAN; HYDROGEN BOND; METABOLISM; PROTEIN TERTIARY STRUCTURE; QUANTUM THEORY;

BIOCATALYSIS; HUMANS; HYDROGEN BONDING; IONS; METALS; MODELS, CHEMICAL; MODELS, MOLECULAR; N-ACETYLGLUCOSAMINYLTRANSFERASES; PROTEIN STRUCTURE, TERTIARY; QUANTUM THEORY; SUBSTRATE SPECIFICITY;

EID: 84878863836     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201300383     Document Type: Article

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