Reaction mechanism of cis-3-chloroacrylic acid dehalogenase: A theoretical study

Biochemistry

Volumn 48, Issue 40, 2009, Pages 9641-9649

  Sevastik, Robin ^a   Whitman, Christian P ^b   Himo, Fahmi ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; RATE CONSTANTS;

ACTIVE SITE RESIDUES; ACTIVE-SITE MODELING; B3LYP DENSITY FUNCTIONAL; DEHALOGENASE; ENZYMATIC REACTION; REACTION MECHANISM; THEORETICAL STUDY; UNCATALYZED REACTIONS;

DENSITY FUNCTIONAL THEORY;

3 CHLOROACRYLIC ACID DEHALOGENASE; BACTERIAL ENZYME; UNCLASSIFIED DRUG;

ARTICLE; DEHALOGENATION; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; ENZYME ANALYSIS; ENZYME MECHANISM; PRIORITY JOURNAL; THEORETICAL STUDY;

CATALYSIS; CATALYTIC DOMAIN; ENERGY METABOLISM; HYDROLASES; HYDROLYSIS; MODELS, CHEMICAL; PSEUDOMONAS; STATIC ELECTRICITY; SUBSTRATE SPECIFICITY; WATER;

EID: 70350070123     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi900879a     Document Type: Article

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