Water-assisted reaction mechanism of monozinc β-lactamases

Journal of the American Chemical Society

Volumn 126, Issue 39, 2004, Pages 12661-12668

  Dal Peraro, Matteo ^a   Llarrull, Leticia I ^b   Rothlisberger, Ursula ^c   Vila, Alejandro J ^b   Carloni, Paolo ^a  

^a DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^b UNIVERSIDAD NACIONAL DE ROSARIO   (Argentina)

^c EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPLEXATION; COORDINATION REACTIONS; FREE ENERGY; HYDROGEN BONDS; HYDROLYSIS; REACTION KINETICS; SUBSTRATES; WATER;

ACTIVE SITE WATER; COORDINATION NUMBERS; FREE ENERGY BARRIERS;

ENZYME KINETICS;

ASPARTIC ACID; BACTERIAL ENZYME; BETA LACTAMASE; CEFOTAXIME; CYSTEINE; HISTIDINE; UNCLASSIFIED DRUG; WATER; ZINC; ZINC BETA LACTAMASE;

AQUEOUS SOLUTION; ARTICLE; BACILLUS CEREUS; CALCULATION; DRUG STABILITY; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYME BINDING; ENZYME MECHANISM; ENZYME SUBSTRATE; FREE ENERGY BARRIER; HYBRID CAR PARRINELLO SIMULATION; HYDROGEN BOND; HYDROLYSIS; METAL BINDING; MICHAELIS MENTEN KINETICS; MOLECULAR DYNAMICS; MOLECULAR MODEL; QUANTUM CHEMISTRY; SIMULATION;

BACILLUS CEREUS; BETA-LACTAMASES; BINDING SITES; HYDROGEN BONDING; HYDROLYSIS; KINETICS; MODELS, MOLECULAR; QUANTUM THEORY; WATER; ZINC;

EID: 4744346992     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja048071b     Document Type: Article

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