Dke1-structure, dynamics, and function: A theoretical and experimental study elucidating the role of the binding site shape and the hydrogen-bonding network in catalysis

Journal of Biological Inorganic Chemistry

Volumn 17, Issue 5, 2012, Pages 801-815

  Brkić, Hrvoje ^a   Buongiorno, Daniela ^b   Ramek, Michael ^b   Straganz, Grit ^b   Tomić, Sanja ^c  

^a JOSIP JURAJ STROSSMAYER UNIVERSITY OF OSIJEK   (Croatia)

^b GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

^c RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

Dke1; Fe 2+ parameters in nonheme enzyme; Molecular dynamics; Mutants; Random acceleration molecular dynamics

Indexed keywords

1,3 DIKETONE; 2 PENTANDIONYL ANION; ACETIC ACID; ANION; ARGININE; DIKETONE CLEAVING ENZYME 1; DIOXYGENASE; FERROUS ION; GLUTAMIC ACID; HISTIDINE; METHYLGLYOXAL; MUTANT PROTEIN; OXYGEN; UNCLASSIFIED DRUG; WATER;

ARTICLE; BIOCATALYSIS; CONTROLLED STUDY; ENZYME ACTIVE SITE; ENZYME ANALYSIS; ENZYME BINDING; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; IRON KINETICS; METAL BINDING; MOLECULAR DYNAMICS; MOLECULAR STABILITY; MUTATIONAL ANALYSIS; PRIORITY JOURNAL; PROTEIN CLEAVAGE; PROTEIN FUNCTION; STRUCTURE ACTIVITY RELATION; WILD TYPE;

ACINETOBACTER; BINDING SITES; DIOXYGENASES; HYDROGEN BONDING; IRON; MOLECULAR DYNAMICS SIMULATION; MUTATION; PENTANONES; WATER;

EID: 84862642356     PISSN: 09498257     EISSN: 14321327     Source Type: Journal    
DOI: 10.1007/s00775-012-0898-8     Document Type: Article

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