Use of constrained synthetic amino acids in beta-helix proteins for conformational control.

Use of constrained synthetic amino acids in beta-helix proteins for conformational control. Research Abstract Details 

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Use of constrained synthetic amino acids in beta-helix proteins for conformational control. Abstract Text:

David Zanuy,Ana I ,Carlos Cativiela,Ruth Nussinov,Carlos ,

A highly constrained amino acid has been introduced in the turn region of a beta-helix to increase the conformational stability of the native fold for nanotechnological purposes. The influence of this specific amino acid replacement in the final organization of beta-helix motifs has been evaluated by combining ab initio first-principles calculations on model systems and molecular dynamics simulations of entire peptide segments. The former methodology, which has been applied to a sequence containing three amino acids, has been used to develop adjusted templates. Calculations indicated that 1-amino-2,2-diphenylcyclopropanecarboxylic acid, a constrained cyclopropane analogue of phenylalanine, exhibits a strong tendency to form and promote folded conformations. On the other hand, molecular dynamics simulations are employed to probe the ability of such a synthetic amino acid to enhance the conformational stability of the beta-helix motif, which is the first requirement for further protein nanoengineering. A highly regular segment from a naturally occurring beta-helix protein was selected as a potential nanoconstruct module. Simulations of wild type and mutated segments revealed that the ability of the phenylalanine analogue to nucleate turn conformations enhances the conformational stability of the beta-helix motif in isolated peptide segments.

Use of constrained synthetic amino acids in beta-helix proteins for conformational control. Publishing Authors By Initials

D Zanuy,AI ,C Cativiela,R Nussinov,C ,

For similar natural sciences: chemistry: chemistry, organic: isomerism: stereoisomerism research abstracts see: natural sciences: chemistry: chemistry, organic: isomerism: stereoisomerism research

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MEDLINE DATE:

Use of constrained synthetic amino acids in beta-helix proteins for conformational control. Journal Published:

PUBLICATION TYPE: Research Support, Non-U.S. Gov

Journal: The journal of physical chemistry. B

VOLUME: 111

Page Numbers: 3236-42

Journal Abbreviation:

ISSN: 1520-6106

DAY: 8

MONTH: 03

YEAR: 2007

Use of constrained synthetic amino acids in beta-helix proteins for conformational control. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 101157530

Use of constrained synthetic amino acids in beta-helix proteins for conformational control. Keywords Mesh Terms:

KEYWORDS: Stereoisomerism

MESH TERMS: genetics

Chemical & Substance for Abstract: Use of constrained synthetic amino acids in beta-helix proteins for conformational control. Information

Substance Name: Proteins

Registry Number: 0

Grant and Affiliation Information for Use of constrained synthetic amino acids in beta-helix proteins for conformational control.

AFFILIATION: Departament d'Enginyeria Química, ETSEIB, Universitat Politècnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain.

Country: United States

AGENCY: United States NCI

GRANT: N01-CO-12400

ACRONYM: CO

MEDLINETA: J Phys Chem B

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