Multilevel in silico structural analysis of WNT1, WNT3A, and WNT5A proteins

WNTs are a family of signaling proteins involved in numerous biological processes, including morphogenesis, oncogenesis, cell migration and proliferation, cellular specialization, and tissue regeneration.
The study employed a comprehensive bioinformatic approach that incorporated alternative analytical methods to enhance the accuracy of secondary structure element predictions and compared the tertiary structure models generated by different algorithms. Best models of WNT tertiary structures were selected for molecular dynamics (md) simulations. 
Models used for md are available to download and are presented under the following links.

Images show original structures (minimized and equilibrated, before md) in blue, models after 100 ns of simulation in yellow and models after 200 ns of simulation in green.

Tertiary structures of WNT family proteins

Full dataset of protein structure models that were generated as part of the study (both homology and deep-learning algorithms) are available for download in PDB format at the following link (compressed).