Structural and functional prediction of the hypothetical protein PA2481 in Pseudomonas aeruginosa Pao1

Abstract

Pseudomonas aeruginosa is a bacterium resistant to a large number of antibiotics and disinfectants. Since the antigens are responsible for producing this resistance, and most of these are proteins, the objective of this work was to predict by computational means the 3D structure and function of PA2481 protein, determining whether is involved in the antibiotic resistance of this bacterium. In order to do this, the primary structure was analyzed computationally by using servers PROSITE, PFAM, BLAST, PROTPARAM, GLOBPLOT, and PROTSCALE. The secondary structure was obtained by the consensus of algorithms SOPM, PREDATOR, DPM, DSC, and GOR4. The 3D structure was predicted with the I-TASSER server and its stereochemical conformation was evaluated with the STRUCTURE ASSESSMENT tool. The final model was visualized with PyMol program. As a result, the 3D structure of PA2481 is proposed according to its stereochemical conformation; two domains are identified as cytochrome c. The function of the protein may be related to electron transport and proton pumping to generate ATP in Pseudomonas aeruginosa. These results allow a better understanding of the role this protein plays in the physiology of this bacterium. © Springer International Publishing Switzerland 2014.