Invista North America S.a.r.l.

University of Washington

Arzeda Corporation

Eric Anthony Althoff

Alexandre Zanghellini

Mihai Luchian Azoitei

Yih-En Andrew Ban

Daniela Grabs-Röthlisberger

Nadia Fatma Kadi

Alexander Pisarchik

Adriana Leonara Botes

David Baker

Daniela Grabs

Lin Jiang

Andrew Wollacott

Adriana Leonora Botes

The invention provides computational methods for engineering, selecting, and/or identifying proteins with a desired activity. Further provided are automated computational design and screening methods to engineer proteins with desired functional activities including, but not limited to ligand binding, catalytic activity, substrate specificity, regioselectivity and/or stereoselectivity.

Automated method of computational enzyme identification and design

The present disclosure provides novel polypeptides with 3-buten-2-ol dehydratase activity, polypeptides with catalytic activity in the conversion of 3-methyl-3-buten-2-ol to isoprene, and crystal structure data for one of such polypeptides. Methods of making and using the polypeptides and their related crystal structure data are also provided.

Mutant polypeptides and uses thereof

Disclosed herein are techniques for computationally designing enzymes. These techniques can be used to design variations of naturally occurring enzymes, as well as new enzymes having no natural counterparts. The techniques are based on first identifying functional reactive sites required to promote the desired reaction. Then, hashing algorithms are used to identify potential protein backbone structures (i.e., scaffolds) capable of supporting the required functional sites. These techniques were used to design 32 different protein sequences that exhibited aldol reaction catalytic function, 31 of which are defined in the Sequence Listing. Details of these 31 different synthetic aldolases are provided, including descriptions of how such synthetic aldolases can be differentiated from naturally occurring aldolases.

Synthetic enzymes derived from computational design

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Seattle, WA, United States of America

Eric Anthony Althoff