Antibiotic deactivation by a dizinc β-lactamase: Mechanistic insights from QM/MM and DFT studies

Journal of the American Chemical Society

Volumn 129, Issue 35, 2007, Pages 10814-10822

  Xu, Dingguo ^a   Guo, Hua ^a   Cui, Qiang ^b  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIA; CATALYSIS; DENSITY FUNCTIONAL THEORY; ENZYMES; MOLECULAR MECHANICS; QUANTUM THEORY;

MECHANISTIC INSIGHTS; MOXALACTAM; X-RAY STRUCTURE;

ANTIBIOTICS;

ANTIBIOTIC AGENT; BETA LACTAMASE; CARBONYL DERIVATIVE; LATAMOXEF; ANTIINFECTIVE AGENT; BETA LACTAMASE L1; BETA-LACTAMASE L1; UNCLASSIFIED DRUG; ZINC;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; DRUG PROTEIN BINDING; ENERGY; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME ANALYSIS; HYDROLYSIS; METAL BINDING; MOLECULAR MECHANICS; NONHUMAN; QUANTUM MECHANICS; RING OPENING; SIMULATION; STENOTROPHOMONAS MALTOPHILIA; BINDING SITE; BIOTRANSFORMATION; CHEMICAL STRUCTURE; CHEMISTRY; ENZYMOLOGY; METABOLISM; QUANTUM THEORY;

ANTI-BACTERIAL AGENTS; BETA-LACTAMASES; BINDING SITES; BIOTRANSFORMATION; HYDROLYSIS; MODELS, MOLECULAR; MOXALACTAM; QUANTUM THEORY; STENOTROPHOMONAS MALTOPHILIA; ZINC;

EID: 34848849542     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja072532m     Document Type: Article

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