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

Paper ID Volume ID Publish Year Pages File Format Full-Text
15326 1404 2008 9 PDF Available
Title
Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on β-lactamases from class A
Abstract

Enzyme functions such as catalysis, binding and regulation are directly related to a variety of conformational changes. A sensitive and useful method for their investigation is circular dichroism (CD) and a rotational strength (R) is its fundamental characteristic. In this study, we show how the sensitivity of the mechanisms of rotational strengths to important conformational changes depends on the chromophore environment in two ß-lactamases from class A (from Escherichia coli and B. licheniformis). Rotational strengths have been calculated using the matrix method and including the effects of local environment (LE). X-ray structures (of protein components) of several enzyme–ligand complexes from the catalytic cycle of the TEM-1 enzyme and for both crystallographic monomers of the enzyme from B. licheniformis were used. An analysis of the relative degree of perturbation of the rotational strengths upon local interactions is performed.

Keywords
CD, Circular dichroism; Near-UV, near-ultraviolet; Far-UV, far-ultravioletβ-Lactamase; Conformational changes; Circular dichroism; Rotational strength; Catalytic mechanism; Acyl-enzyme; Matrix method; Local environment
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Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on β-lactamases from class A
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Publisher
Database: Elsevier - ScienceDirect
Journal: Computational Biology and Chemistry - Volume 32, Issue 3, June 2008, Pages 167–175
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us