Determination of Electrostatic Interaction Energies and Protonation State Populations in Enzyme Active Sites

Journal of Molecular Biology

Volumn 376, Issue 1, 2008, Pages 269-287

  Søndergaard, Chresten R ^a,b   McIntosh, Lawrence P ^c   Pollastri, Gianluca ^b   Nielsen, Jens Erik ^a  

^a University College Dublin   (Ireland)

^b UNIVERSITY COLLEGE DUBLIN   (Ireland)

^c Life Sciences Centre   (Canada)

Author keywords

dielectric constant; NMR titration curve; pH activity profile; pKa values; protein electrostatics

Indexed keywords

ENZYME; THIOREDOXIN; XYLAN ENDO 1,3 BETA XYLOSIDASE;

ARTICLE; BACILLUS CIRCULANS; CATALYSIS; DIELECTRIC CONSTANT; ELECTRICITY; ENERGY TRANSFER; ENZYME ACTIVITY; ENZYME STRUCTURE; ESCHERICHIA COLI; EXPERIMENTAL STUDY; GLOBAL FITTING OF TITRATIONAL EVENT; HUMAN; MUTANT; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTON TRANSPORT; TITRIMETRY; X RAY CRYSTALLOGRAPHY;

BACILLUS CIRCULANS; ESCHERICHIA COLI;

EID: 38048998514     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmb.2007.09.070     Document Type: Article

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