Computational Introduction of Catalytic Activity into Proteins.
Recently, there have been several successful cases of introducing catalytic activity into proteins. One method that has been used successfully to achieve this is the theozyme placement and enzyme design algorithms implemented in Rosetta Molecular Modeling Suite. Here, we illustrate how to use this software to recapitulate the placement of catalytic residues and ligand into a protein using a theozyme, protein scaffold, and catalytic constraints as input.
Department of Chemistry, University of California Davis, One Shields Avenue, Davis, CA, USA.
Steve J
SJ
Bertolani
Biophysics Graduate Group, University of California Davis, One Shields Avenue, Davis, CA, USA.
Dylan Alexander
DA
Carlin
Department of Chemistry, University of California Davis, One Shields Avenue, Davis, CA, USA. jbsiegel@ucdavis.edu.|Genome Center, University of California Davis, One Shields Avenue, Davis, CA, 95616, USA. jbsiegel@ucdavis.edu.|Department of Biochemistry and Molecular Medicine, University of California Davis, One Shields Avenue, Davis, CA, USA. jbsiegel@ucdavis.edu.
Justin B
JB
Siegel
D000465:Algorithms; D002384:Catalysis; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D011506:Proteins / Q000737:chemistry / Q000378:metabolism*
D011506:Proteins
De novo enzyme design; Enzyme design; Rosetta; Theozyme