Flexibility and enzymatic cold-adaptation: A comparative molecular dynamics investigation of the elastase family

Comparative thermal unfolding study of psychrophilic and mesophilic subtilisin-like serine proteases by molecular dynamics simulations

“…It has been postulated that the increased molecular flexibility at low temperatures is achieved through weakening the intramolecular noncovalent interactions that stabilize the native protein 3D structure, which is usually accompanied by a reduction in the thermostability of the psychrophilic enzymes (D'Amico, Marx, Fields, 2001;Georlette et al, 2003Georlette et al, , 2004. However, comparative studies of different thermally adapted enzymes have suggested that the optimization of catalytic activity in psychrophilic enzymes at low temperatures is not necessarily ascribed to an overall increase in structural flexibility, but it is most likely the result of improved flexibility in localized regions that may influence the mobility of the functionally relevant regions (D'Amico et al, 2003;Fields, 2001;Georlette et al, 2004;Papaleo, Riccardi, Villa, Fantucci, & De Gioia, 2006;Papaleo, Tiberti, Invernizzi, Pasi, & Ranzani, 2011;Siddiqui & Cavicchioli, 2006;. Consequently, the question of whether the often observed decrease in thermostability of the psychrophilic enzymes is caused by an increase in global or local flexibility needs to be further explored.…”

Comparative structural studies of psychrophilic and mesophilic protein homologues by molecular dynamics simulation

“…Recently it has been reported that at 300 K psychrophilic trypsin and elastase show enhanced localized flexibility in the loop regions, which confers larger flexibility to these enzymes [7]. Earlier report suggests that enhanced protein flexibility could be strongly related to cold-adaptation [6,9]. Thus improved flexibility of loop regions in pMa (at 277 K and 298 K) could be a positive factor for coldadaptation.…”

“…Molecular dynamics (MD) simulation is a suitable tool to evaluate the comparative basis of protein thermostability between homologous psychrophilic and mesophilic proteins. However only a few comparative molecular dynamics studies aimed at evaluating temperature dependencies of the dynamics of psychrophilic and mesophilic proteins at different temperatures have been done [6][7][8][9][10]. In fact to our knowledge no comparative molecular dynamics study dealing with wide range of temperature has been reported.…”

Application of immobilized psychrotrophs in ICCBR to treat domestic wastewater and its microbiological investigation

“…A vast of researches were carried out on the rules that psychrotrophs govern their molecular adaptation to low temperatures [3][4][5][6] and on the application of cold-adapted enzymes in biotechnology industries [7] , such as the detergent [8] and food industry [9] , fine chemicals [10] and bioremediation processes [11,12] . Many results are available on food and chemical industries [13,14] , while cold-adapted organism in low temperature wastewater treatments has been rarely reported.…”