A QM/MM Investigation of the Catalytic Mechanism of Metal-Ion-Independent Core 2 β1,6-N-Acetylglucosaminyltransferase

• Published in: Chemistry : a European journal Vol. 19; no. 25; pp. 8153 - 8162
• Main Authors: Tvaroška, Igor, Kozmon, Stanislav, Wimmerová, Michaela, Koča, Jaroslav
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 17.06.2013; WILEY‐VCH Verlag
• Subjects: Biocatalysis; computer chemistry; density functional calculations; Humans; Hydrogen Bonding; Ions - chemistry; Metals - chemistry; Models, Chemical; Models, Molecular; molecular modeling; N-Acetylglucosaminyltransferases - chemistry; N-Acetylglucosaminyltransferases - metabolism; Protein Structure, Tertiary; Quantum Theory; reaction mechanisms; Substrate Specificity; transferases; transition state
• ISSN: 0947-6539; 1521-3765; 1521-3765
• DOI: 10.1002/chem.201300383

β1,6‐GlcNAc‐transferase (C2GnT) is an important controlling factor of biological functions for many glycoproteins and its activity has been found to be altered in breast, colon, and lung cancer cells, in leukemia cells, in the lymhomonocytes of multiple sclerosis patients, leukocytes from diabetes p...