pKa, MM, and QM studies of mechanisms of β-lactamases and penicillin-binding proteins: Acylation step

Journal of Computational Chemistry

Volumn 23, Issue 16, 2002, Pages 1559-1576

  Massova, Irina ^a,b   Kollman, Peter A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b GENENTECH INC   (United States)

Author keywords

lactamases; Acylation step; Catalytic mechanism; Penicillin binding proteins

Indexed keywords

ACYLATION; CATALYSIS; COMPUTER SIMULATION; ENZYMES; MOLECULAR DYNAMICS; PROTONS; TITRATION;

HYDROLYTIC WATER;

PROTEINS;

BACTERIAL PROTEIN; BETA LACTAMASE; CARBOXYPEPTIDASE TRANSPEPTIDASE; CARRIER PROTEIN; GLYCOSYLTRANSFERASE; PENICILLIN BINDING PROTEIN; PEPTIDYLTRANSFERASE; PROTON; SOLVENT;

ACYLATION; ARTICLE; BACILLUS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENTEROBACTER CLOACAE; ENZYMOLOGY; ESCHERICHIA COLI; HYDROLYSIS; KINETICS; MOLECULAR MIMICRY; PROTEIN CONFORMATION; QUANTUM THEORY; STAPHYLOCOCCUS AUREUS; TEMPERATURE;

ACYLATION; BACILLUS; BACTERIAL PROTEINS; BETA-LACTAMASES; CARRIER PROTEINS; COMPUTER SIMULATION; ENTEROBACTER CLOACAE; ESCHERICHIA COLI; HEXOSYLTRANSFERASES; HYDROLYSIS; KINETICS; MODELS, MOLECULAR; MOLECULAR MIMICRY; MURAMOYLPENTAPEPTIDE CARBOXYPEPTIDASE; PENICILLIN-BINDING PROTEINS; PEPTIDYL TRANSFERASES; PROTEIN CONFORMATION; PROTONS; QUANTUM THEORY; SOLVENTS; STAPHYLOCOCCUS AUREUS; TEMPERATURE;

EID: 0036882101     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10129     Document Type: Article

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