Peptide hydrolysis by the binuclear zinc enzyme aminopeptidase from Aeromonas proteolytica: a density functional theory study

Article Abstract:

Density functional theory methods are used for examining the reaction mechanism of a binuclear zinc enzyme aminopeptidase from Aeromonas proteolytica (AAP). The rate-limiting step is shown to be protonation of the nitrogen of the former peptide bond, which has led to the cleavage of the C-C bond.

Analysis, Proteases, Peptides, Density functionals, Density functional theory, Hydrolysis, Chemical bonds, Chemical properties

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DNA repair by spore photoproduct lyase: a density functional theory study

Article Abstract:

The spore photoproduct lyase (SPL) catalyzes the repair of a thymine dimer caused by the UV irradiation of bacterial spore DNA. Density functional theory calculations using the hybrid functional B3LYPY is performed to probe the energetic of the spore photoproduct lyase (SPL) reactions.

Biological Product (except Diagnostic) Manufacturing, Drugs, Thymine, DNA repair

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Catalytic mechanism of pyruvate-formate lyase revisited

Article Abstract:

A study is conduced to investigate the catalytic mechanism of the glycyl-radical containing enzyme pyruvate-formate lyase (PFL) with the help of high-quantum chemical methods. PFL catalyzes the reversible conversion of pyruvate and coenzyme A (COA) into formate and acetylated COA.

Acetyl coenzyme A, Pyruvates

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