title: On the information expressed in enzyme primary structure: lessons from Ribonuclease A.
abstract: The information expressed in an enzyme's primary structure is investigated. Brownian computations are directed at Ribonuclease A (RNase A) so as to quantify the information at the atom/covalent bond level. The information content and distribution are crucial because the primary structure underpins the molecule's chemical functions. Brownian computation data are illustrated for the native protein, mutants, and sequence isomers. The results identify signature features of the active protein on new information grounds. The same tools offer rapid screening of proteins and polypeptides whereby several examples are illustrated.
authors.affiliation: Department of Chemistry, Loyola University Chicago, 6525 North Sheridan Road, Chicago, IL 60626, USA. dgraha1@luc.edu
authors.forename: Daniel J
authors.initials: DJ
authors.lastname: Graham
authors.forename: Jessica L
authors.initials: JL
authors.lastname: Greminger
mesh_terms: D000595:Amino Acid Sequence / Q000502:physiology*; D002851:Chromatography, High Pressure Liquid; D019295:Computational Biology / Q000379:methods*; D018360:Crystallography, X-Ray; D004798:Enzymes / Q000737:chemistry* / Q000378:metabolism; D008954:Models, Biological; D008958:Models, Molecular; D008962:Models, Theoretical; D008969:Molecular Sequence Data; D011487:Protein Conformation; D012259:Ribonuclease, Pancreatic / Q000737:chemistry* / Q000378:metabolism* / Q000502:physiology; D013329:Structure-Activity Relationship
chemical_list: D004798:Enzymes; D012259:Ribonuclease, Pancreatic