Molecular dynamics simulations give insight into d-glucose dioxidation at C2 and C3 by Agaricus meleagris pyranose dehydrogenase

Journal of Computer-Aided Molecular Design

Volumn 27, Issue 4, 2013, Pages 295-304

  Graf, Michael M H ^a   Bren, Urban ^a,b   Haltrich, Dietmar ^a   Oostenbrink, Chris ^a  

^a UNIVERSITY OF NATURAL RESOURCES AND LIFE SCIENCES   (Austria)

^b NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

Bioelectrochemistry; Enzyme promiscuity; Flavoproteins; GROMOS; Protein ligand interactions; Reaction mechanism

Indexed keywords

AMINO ACIDS; BIOCHEMISTRY; BIODEGRADATION; FUNGI; GLUCOSE; HYDROGEN BONDS; MOLECULAR DYNAMICS; REACTION INTERMEDIATES; REACTION KINETICS; VAN DER WAALS FORCES;

BIOELECTROCHEMISTRY; D-GLUCOSE; DYNAMICS SIMULATION; ENZYME PROMISCUITY; FLAVOPROTEIN; GROMOS; PROTEIN-LIGAND INTERACTIONS; PYRANOSE DEHYDROGENASE; PYRANOSE-2-OXIDASE; REACTION MECHANISM;

ENZYMES;

GLUCOSE; HISTIDINE; OXIDOREDUCTASE; PYRANOSE 2 OXIDASE; PYRANOSE DEHYDROGENASE; QUERCETIN; UNCLASSIFIED DRUG;

AGARICUS; AGARICUS MELEAGRIS; AMINO ACID SEQUENCE; ARTICLE; CONFORMATIONAL TRANSITION; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME ANALYSIS; ENZYME MECHANISM; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; GLUCOSE OXIDATION; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR STABILITY; NONHUMAN; PRIORITY JOURNAL; PROTEIN CARBOHYDRATE INTERACTION; PROTON TRANSPORT; TRAMETES; TRAMETES MULTICOLOR;

EID: 84878503057     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-013-9645-7     Document Type: Article

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