Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on β-lactamases from class A

Computational Biology and Chemistry

Volumn 32, Issue 3, 2008, Pages 167-175

  Christov, Christo Z ^a,b   Karabencheva, Tatyana G ^a,b   Lodola, Alessio ^c  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

^c UNIVERSITY OF PARMA   (Italy)

Author keywords

Lactamase; Acyl enzyme; Catalytic mechanism; Circular dichroism; Conformational changes; Local environment; Matrix method; Rotational strength

Indexed keywords

CATALYST ACTIVITY; COMPUTATIONAL MECHANICS; DICHROISM; ESCHERICHIA COLI; MONOMERS; PERTURBATION TECHNIQUES;

ACYL ENZYME; CATALYTIC MECHANISM; CHIROPTICAL PROPERTIES; CONFORMATIONAL CHANGES; LOCAL ENVIRONMENT; MATRIX METHODS; ROTATIONAL STRENGTH;

ENZYMES;

BETA LACTAMASE; BETA LACTAMASE TEM 1; BETA-LACTAMASE TEM-1; LIGAND;

ARTICLE; BACILLUS; BIOLOGY; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; CLASSIFICATION; COMPUTER SIMULATION; ENZYMOLOGY; ESCHERICHIA COLI; METHODOLOGY; OPTICAL ROTATION; PROTEIN CONFORMATION; PROTEIN TERTIARY STRUCTURE; RADIATION EXPOSURE; SENSITIVITY AND SPECIFICITY; STRUCTURE ACTIVITY RELATION; ULTRAVIOLET RADIATION; X RAY CRYSTALLOGRAPHY;

BACILLUS; BETA-LACTAMASES; CATALYSIS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ESCHERICHIA COLI; LIGANDS; MODELS, MOLECULAR; OPTICAL ROTATION; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; SENSITIVITY AND SPECIFICITY; STRUCTURE-ACTIVITY RELATIONSHIP; ULTRAVIOLET RAYS;

ESCHERICHIA COLI;

EID: 43249098735     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compbiolchem.2008.02.003     Document Type: Article

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