Antibiotic binding to monozinc CphA β-lactamase from Aeromonas hydropila: Quantum mechanical/molecular mechanical and density functional theory studies

Journal of Medicinal Chemistry

Volumn 48, Issue 21, 2005, Pages 6679-6689

  Xu, Dingguo ^a   Zhou, Yanzi ^b   Xie, Daiqian ^b   Guo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

APOENZYME; BETA LACTAM ANTIBIOTIC; BETA LACTAMASE; BETA LACTAMASE CPHA; BETA LACTAMASE INHIBITOR; BIAPENEM; HISTIDINE; LIGAND; UNCLASSIFIED DRUG; WATER; ZINC ION;

AEROMONAS HYDROPHILA; AEROMONAS VERONII; ANTIBIOTIC RESISTANCE; ARTICLE; CATALYSIS; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DRUG PROTEIN BINDING; ENZYME ACTIVE SITE; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NONHUMAN; QUANTUM MECHANICS; X RAY DIFFRACTION;

ANTI-BACTERIAL AGENTS; BACTERIAL PROTEINS; BETA-LACTAMASES; BINDING SITES; CATALYSIS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; QUANTUM THEORY; THIENAMYCINS; WATER; ZINC;

EID: 27144445025     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0505112     Document Type: Article

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