Computational Study on Temperature Driven Structure–Function Relationship of Polysaccharide Producing Bacterial Glycosyl Transferase Enzyme

Abstract

Glycosyltransferase (GTs) is a wide class of enzymes that transfer sugar moiety, playing a key role in the synthesis of bacterial exopolysaccharide (EPS) biopolymer. In recent years, increased demand for bacterial EPSs has been observed in pharmaceutical, food, and other industries. The application of the EPSs largely depends upon their thermal stability, as any industrial application is mainly reliant on slow thermal degradation. Keeping this in context, EPS producing GT enzymes from three different bacterial sources based on growth temperature (mesophile, thermophile, and hyperthermophile) are considered for in silico analysis of the structural–functional relationship. From the present study, it was observed that the structural integrity of GT increases significantly from mesophile to thermophile to hyperthermophile. In contrast, the structural plasticity runs in an opposite direction towards mesophile. This interesting temperature-dependent structural property has directed the GT–UDP-glucose interactions in a way that thermophile has finally demonstrated better binding affinity (−5.57 to −10.70) with an increased number of hydrogen bonds (355) and stabilizing amino acids (Phe, Ala, Glu, Tyr, and Ser). The results from this study may direct utilization of thermophile-origin GT as best for industrial-level bacterial polysaccharide production.

Performance of Novel Antimicrobial Protein Bg_9562 and In Silico Predictions on Its Properties with Reference to Its Antimicrobial Efficiency against Rhizoctonia solani

“…Random coils are one of the non-native states of proteins [45]. Non-native states of proteins are of increasing research interest because of their relevance to protein folding, translocation, and stability [46]. The 3D structure of proteins can be modeled via the comparative method (both comparative modeling and threading), which depends on known protein structures, or by ab initio, which relies on amino acid sequences.…”

Extremophilic Exopolysaccharides: Biotechnologies and Wastewater Remediation

“…In recent years, increased demand for thermophilic EPSs has been observed in pharmaceutical, food, and other industries, largely dependent on their slow thermal degradation ( González-Faune et al, 2021 ). Antiviral and immune-modulating activities have been demonstrated for EPSs extracted from thermophilic Bacillus licheniformis ( Arena et al, 2006 ) and Geobacillus thermodenitrificans ( Arena et al, 2009 ).…”

Stress Dependent Biofilm Formation and Bioactive Melanin Pigment Production by a Thermophilic Bacillus Species from Chilean Hot Spring

“…QS helps function as a signaling pathway to produce an extracellular biofilm network of the bacteria that acts like a protecting sheath under extreme conditions [9]. The bacterial biofilm network is largely composed of exopolysaccharides (EPS), a carbohydrate polymer regularly used in pharmaceutical, food, and other industrial applications [10]. Thermophilic biofilms are also reported to have industrial applications in the activated sludge process of waste treatment [11], the electrochemical process of bioleaching [12], or biohydrogen production [13], and in the dairy industry.…”