Understanding the role of active-site residues in chorismate mutase catalysis from molecular-dynamics simulations

Angewandte Chemie - International Edition

Volumn 42, Issue 13, 2003, Pages 1508-1511

  Guo, Hong ^a   Cui, Qiang ^a   Lipscomb, William N ^a   Karplus, Martin ^a,b  

^a HARVARD UNIVERSITY   (United States)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Enzyme catalysis; Molecular dynamics; Pericyclic reaction; Reaction mechanisms; Transition states

Indexed keywords

COMPUTER SIMULATION; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS;

ACTIVE SITES;

CATALYSIS;

CHORISMATE MUTASE;

ARTICLE; BACILLUS SUBTILIS; CATALYSIS; CHEMICAL INTERACTION; CHEMICAL WASTE; CLAISEN REARRANGEMENT; CRYSTAL STRUCTURE; GEOMETRY; MOLECULAR DYNAMICS; NONHUMAN; SIMULATION; X RAY CRYSTALLOGRAPHY;

BACILLUS SUBTILIS; BINDING SITES; CATALYSIS; CHORISMATE MUTASE; CHORISMIC ACID; CYCLOHEXANECARBOXYLIC ACIDS; CYCLOHEXENES; MODELS, MOLECULAR; MUTATION; SUBSTRATE SPECIFICITY;

EID: 0037419004     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200219878     Document Type: Article

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