title: [Use of frequency analysis for localization of functionally important regions of thermolysin].
abstract: A theoretical investigation of the functional topography of thermolysin molecule was carried out using frequency analysis of its primary and tertiary structures. The statistical validity of predictions was estimated for the enzyme active site, substrate-binding pocket, interdomain interface, and calcium-binding sites. It was shown that frequency analysis of primary structure could be employed to predict the localization of contiguous parts of the interdomain interface. Primary structure analysis cannot be used to search for the conformation-dependent enzyme active site and substrate-binding pocket. On the contrary, frequency analysis of interresidues contacts is not so effective for prediction of the interdomain interface as compared with active site, substrate-binding pocket, and calcium-binding sites. The set of original algorithms proposed could be used in searching for functional sites in various proteins.
authors.forename: A E
authors.initials: AE
authors.lastname: Gabriélian
authors.forename: S A
authors.initials: SA
authors.lastname: Kostrov
authors.forename: M P
authors.initials: MP
authors.lastname: Kirpichnikov
mesh_terms: D000595:Amino Acid Sequence; D001665:Binding Sites; D002118:Calcium / Q000378:metabolism; D008969:Molecular Sequence Data; D013820:Thermolysin / Q000737:chemistry* / Q000378:metabolism
chemical_list: D013820:Thermolysin; D002118:Calcium
vernacular_title: Ispol'zovanie chastotnogo analiza dlia lokalizatsii funktsional'no znachimykh oblasteĭ termolizina.