Gutenberg Open Science: AlphaFold predicts the most complex protein knot and composite protein knots

Please use this identifier to cite or link to this item: http://doi.org/10.25358/openscience-8709

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DC Field	Value	Language
dc.contributor.author	Brems, Maarten A.	-
dc.contributor.author	Runkel, Robert	-
dc.contributor.author	Yeates, Todd O.	-
dc.contributor.author	Virnau, Peter	-
dc.date.accessioned	2023-02-02T10:50:42Z	-
dc.date.available	2023-02-02T10:50:42Z	-
dc.date.issued	2022	-
dc.identifier.uri	https://openscience.ub.uni-mainz.de/handle/20.500.12030/8725	-
dc.description.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-knot. Our list of analyzed structures forms the basis for future experimental studies to confirm these novel-knotted topologies and to explore their complex folding mechanisms.	en_GB
dc.description.sponsorship	Gefördert durch die Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 491381577	de
dc.language.iso	eng	de
dc.rights	CC BY	*
dc.rights.uri	https://creativecommons.org/licenses/by/4.0/	*
dc.subject.ddc	530 Physik	de_DE
dc.subject.ddc	530 Physics	en_GB
dc.title	AlphaFold predicts the most complex protein knot and composite protein knots	en_GB
dc.type	Zeitschriftenaufsatz	de
dc.identifier.doi	http://doi.org/10.25358/openscience-8709	-
jgu.type.contenttype	Scientific article	de
jgu.type.dinitype	article	en_GB
jgu.type.version	Published version	de
jgu.type.resource	Text	de
jgu.organisation.department	FB 08 Physik, Mathematik u. Informatik	de
jgu.organisation.number	7940	-
jgu.organisation.name	Johannes Gutenberg-Universität Mainz	-
jgu.rights.accessrights	openAccess	-
jgu.journal.title	Protein science	de
jgu.journal.volume	31	de
jgu.journal.issue	8	de
jgu.publisher.year	2022	-
jgu.publisher.name	John Wiley & Sons, Ltd	de
jgu.publisher.place	Hoboken, NJ	de
jgu.publisher.issn	1469-896X	de
jgu.organisation.place	Mainz	-
jgu.subject.ddccode	530	de
jgu.publisher.doi	10.1002/pro.4380	de
jgu.organisation.ror	https://ror.org/023b0x485	-
jgu.subject.dfg	Naturwissenschaften	de
Appears in collections:	DFG-491381577-H

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