Esterase Sequence Composition Patterns for the Identification of Catalytic Triad Microenvironment Motifs (CROSBI ID 318501)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Babić, Marko ; Janković, Patrizia ; Marchesan, Silvia ; Mauša, Goran ; Kalafatovic, Daniela
engleski
Esterase Sequence Composition Patterns for the Identification of Catalytic Triad Microenvironment Motifs
Ester hydrolysis is of wide biomedical interest, spanning from the green synthesis of pharmaceuticals to biomaterials’ development. Existing peptide-based catalysts exhibit low catalytic efficiency compared to natural enzymes, due to the conformational heterogeneity of peptides. Moreover, there is lack of understanding of the correlation between the primary sequence and catalytic function. For this purpose, we statistically analyzed 22 EC 3.1 hydrolases with known catalytic triads, characterized by unique and well-defined mechanisms. The aim was to identify patterns at the sequence level that will better inform the creation of short peptides containing important information for catalysis, based on the catalytic triad, oxyanion holes and the triad residues microenvironments. Moreover, fragmentation schemes of the primary sequence of selected enzymes alongside the study of their amino acid frequencies, composition, and physicochemical properties are proposed. The results showed highly conserved catalytic sites with distinct positional patterns and chemical microenvironments that favor catalysis and revealed variations in catalytic site composition that could be useful for the design of minimalistic catalysts.
Microenvironments ; alignment ; enzymes ; catalytic ; hydrolases
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Podaci o izdanju
62 (24)
2022.
6398-6410
objavljeno
1549-9596
1549-960X
10.1021/acs.jcim.2c00977
Povezanost rada
Biotehnologija u biomedicini (prirodno područje, biomedicina i zdravstvo, biotehničko područje), Biotehnologija, Interdisciplinarne biotehničke znanosti