AlphaFold predicts the most complex protein knot and composite protein knots.

ABSTRACT: The computer artificial intelligence system AlphaFold has recently predicted previously unknown three-dimensional structures of thousands of proteins. Focusing on the subset with high-confidence scores, we algorithmically analyze these predictions for cases where the protein backbone exhibits rare topological complexity, that is, knotting. Amongst others, we discovered a 7₁ -knot, the most topologically complex knot ever found in a protein, as well several six-crossing composite knots comprised of two methyltransferase or carbonic anhydrase domains, each containing a simple trefoil knot. These deeply embedded composite knots occur evidently by gene duplication and interconnection of knotted dimers. Finally, we report two new five-crossing knots including the first 5₁

SUBMITTER: Brems MA 

PROVIDER: S-EPMC9278004 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature