Prot2Surf: fast analysis of protein - surface binding modes
Prot2Surf is a software tool designed for the characterization and prediction of protein association to surfaces. In this application note, Prot2Surf was tested using catalytic domains of the lytic polysaccharide monooxygenases (LPMOs), interacting with native surfaces. The results show that the software can efficiently analyze key binding features, including protein-surface distances,…
Prot2Surf is a software tool created to study and predict how proteins attach to surfaces. In a recent test, the tool was used with catalytic domains of lytic polysaccharide monooxygenases (LPMOs), which interact with natural surfaces. The findings indicate that Prot2Surf can effectively analyze important binding elements, such as the distance between the protein and the surface, the distance between atoms in the protein that are vital for its function, and the angle at which the surface chains align with the protein.
These elements are crucial for identifying successful binding configurations in protein-surface interactions and for understanding the patterns that guide protein engineering efforts. The software can carry out these analyses in a matter of seconds to a few minutes, making it a quick and user-friendly way to further examine and characterize protein-surface complexes.
Prot2Surf is written in Fortran90 and is available as open source on GitHub, with the necessary SDA software package also free to download from https://www.h-its.org/downloads/sda7/.
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