AlphaFold Modeling and Computational Analysis of a PHA Synthase from Actinophytocola algeriensis

Environmental challenges related to plastic waste underscore the urgent need for innovative solutions. Polyhydroxyalkanoates (PHA) have emerged as sustainable alternatives to conventional plastics, particularly in packaging, due to their biodegradability and biocompatibility. However, the cost of PHA production and certain physical limitations compared to synthetic polymers remain significant barriers to widespread adoption. Within this context, Actinophytocola algeriensis, an Actinobacteria species isolated from the Sahara desert in Algeria, holds promise for its biotechnological potential and bioactive molecules. Despite this, our understanding of its enzyme profile, notably the PHA synthase (EC 2.3.1.304), the key enzyme in PHA biosynthesis, remains limited. In this study, the 3D structure of PHA synthase was modeled utilizing the artificial intelligence program AlphaFold, followed by the structural refinement and validation. In addition, physicochemical properties and functional characterization were conducted using various bioinformatics tools. This research signifies a substantial advancement in comprehending the molecular mechanisms underlying PHA biosynthesis in A. algeriensis, thereby fostering the development of innovative biotechnological applications for sustainable biopolymer production.