Functional annotation and comparative modeling of ligninolytic enzymes from Trametes villosa (SW.) Kreisel for biotechnological applications

Abstract

Functional annotation of Trametes villosa genome was performed to search Class II peroxidase proteins in this white-rot fungus, which can be valuable for several biotechnological processes. After sequence identification and manual curation, five proteins were selected to build 3 D models by comparative modeling. Analysis of sequential and structural sequences from selected targets revealed the presence of two putative Lignin Peroxidase and three putative Manganese Peroxidase on this fungal genome. All 3 D models had a similar folding pattern from selected 3 D structure templates. After minimization and validation steps, the best 3 D models were subjected to docking studies and molecular dynamics to identify structural requirements and the interactions required for molecular recognition. Two reliable 3 D models of Class II peroxidases, with typical catalytic site and architecture, and its protein sequences are indicated to recombinant production in biotechnological applications, such as bioenergy.

Communicated by Ramaswamy H. Sarma

Keywords:

• White-rot fungus
• in silico analysis
• 3D structure
• comparative modeling
• lignin peroxidase
• manganese peroxidase

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was supported by Graduate Program in Biotechnology of the State University of Feira de Santana (PPGBiotec UEFS, http://www2.uefs.br/ppgbiotec), UFMG, FAPESB, CAPES and CNPq.