Just a near attack conformer for catalysis (chorismate to prephenate rearrangements in water, antibody, enzymes, and their mutants)

Journal of the American Chemical Society

Volumn 125, Issue 35, 2003, Pages 10540-10542

  Hur, Sun ^a   Bruice, Thomas C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIAL ENZYME; CATALYTIC ANTIBODY; CHORISMATE MUTASE; CHORISMIC ACID; MUTANT PROTEIN; PHENOL DERIVATIVE; WATER;

ARTICLE; CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; ENZYME KINETICS; ENZYME SUBSTRATE; ENZYME SUBSTRATE COMPLEX; ESCHERICHIA COLI; MOLECULAR INTERACTION; NONHUMAN; STEREOCHEMISTRY;

ANTIBODIES, CATALYTIC; BINDING SITES; CATALYSIS; CHORISMATE MUTASE; CHORISMIC ACID; CYCLOHEXANECARBOXYLIC ACIDS; CYCLOHEXENES; KINETICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MUTATION; THERMODYNAMICS; WATER;

EID: 0042355696     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0357846     Document Type: Article

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7. For recognition of the chorismate NAC, the criterion of the C16⋯C5 distance must be accompanied by recognition of the overlap of C16 and C5 orbitals, by means of inspection of the approaching angle of C 16 and the direction of C 16 electrons relative to C5. The population of chorismate conformers recognized by only their C5⋯C16 distances (as in refs 8,9) includes, in the main, a number of conformations that cannot proceed directly to the TS and as such are not NACs (see the upcoming full publication).
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