Structural and Functional Analysis of Tannase from Aspergillus niger: An Insilico Approach for Wine Industry Waste Treatment

Abstract Background:The worldwide wine industry is one of the most significant and rapidly expanding sectors and contributes billions of dollars to the world economy each year. The waste produced as a result of wine production of great concern for the environment safety. Tannin is one of the materials present in the wine waste which can be hydrolyzed into gallic acid and glucose by an enzyme tannin acyl hydrolase which is extracted from a fungus aspergillus niger. Our effort involves computational study for analyzing the structural and functional characteristics of an enzyme tannin acyl hydrolase which is extracted from a fungus aspergillus niger. The protein sequence of tannin acyl hydrolase was taken from the RCSB-PDB database. Afterwards, physicochemical characteristics and primary structure analysis were determined using Protparam webserver. The online bioinformatics tool SOPMA was used to measure number of GRAVY, amino acids, aliphatic index, theoretical pI and instability index. CELLO tool helped to determine the subcellular localization. SAVES server v6.1 helped to obtain the overall quality factor, 3D-1D ratio, Z-score and other stereochemical properties. Ramachandran plot, local quality estimate, QMEAN and 3D structure assessment was determined with the help of SwissModel. The family classification of protein and domain study was performed using InterproScan software. Finally, STRING database helped to visualize protein-protein interactions for the functional study. Result:Tannin acyl hydrolase mostly constitutes acidic amino acids and possesses thermostability. Higher aliphatic index proved its property of being thermostable. The fact that over 90% of the amino acids are present in the Ramachandran plot's preferred region indicates that tannic acyl hydrolase is a stable protein. Conclusion:This analysis aims to provide useful insights for tannin acyl hydrolase to be used in bioremediation of wine industry waste and gives important knowledge about it for the experimental laboratory work.