Fig 5.
Structural and phylogenetic characterization of NmCut. (A) Maximum likelihood (ML) phylogenetic tree based on the amino acid sequence of NmCut and other known PET-degrading enzymes. (B) Multiple sequence alignment of NmCut with representative PETases. (C) Electrostatic surface representation of NmCut, showing a modular organization: a catalytic module (CM, orange) and a putative binding module (PBM, blue). Color scale indicates surface potential from −5.0 (red) to +5.0 (blue) kcal/mol·e. (D) Molecular docking model of NmCut with a PET trimer (green). The catalytic triad (Ser161, Asp209, His237) is shown in orange; predicted mutation sites enhancing PET interaction are indicated in blue.
