Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase

Proceedings of the National Academy of Sciences of the United States of America

Volumn 104, Issue 26, 2007, Pages 10774-10779

  Dybala Defratyka, Agnieszka ^a   Paneth, Piotr ^a   Banerjee, Ruma ^b   Truhlar, Donald G ^c  

^a LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

^b UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^c UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Ensemble averaged variational transition state theory; Enzyme kinetics; Kinetic isotope effects; Molecular modeling; Quantum dynamics

Indexed keywords

AMINO ACID; COBALT; COBAMAMIDE; HYDROGEN; ISOTOPE; METHYLMALONYL COENZYME A MUTASE; WATER;

ARTICLE; CATALYSIS; CRYSTAL STRUCTURE; ELECTRON SPIN RESONANCE; ENERGY; ENZYME ACTIVE SITE; ENZYME KINETICS; ENZYME STRUCTURE; KINETIC ISOTOPE EFFECT; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTUM MECHANICS; VIBRATION;

BINDING SITES; CATALYSIS; COBAMIDES; DEUTERIUM; FREE RADICALS; HYDROGEN; INTRAMOLECULAR TRANSFERASES; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOTION; QUANTUM THEORY; VITAMIN B 12;

EID: 34547457443     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0702188104     Document Type: Article

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