Biomedical subjects

Dmitry A Grigorovich

Publications and source records attributed to Dmitry A Grigorovich.

3 recordsLinked to original sources

PubMed2005

PDBSite: a database of the 3D structure of protein functional sites.

The PDBSite database provides comprehensive structural and functional information on various protein sites (post-translational modification, catalytic active, organic and inorganic ligand binding, protein-protein, protein-DNA and protein-RNA interactions) in the Protein Data Bank (PDB). The PDBSite is available online at http://wwwmgs.bionet.nsc.ru/mgs/gnw/pdbsite/. It consists of functional sites extracted from PDB using the SITE records and of an additional set containing the protein interaction sites inferred from the contact residues in heterocomplexes. The PDBSite was set up by automated processing of the PDB. The PDBSite database can be queried through the functional description and the structural characteristics of the site and its environment. The PDBSite is integrated with the PDBSiteScan tool allowing structural comparisons of a protein against the functional sites. The PDBSite enables the recognition of functional sites in protein tertiary structures, providing annotation of function through structure. The PDBSite is updated after each new PDB release.

Binding Sites↗

PubMed2004

PDBSiteScan: a program for searching for active, binding and posttranslational modification sites in the 3D structures of proteins.

PDBSiteScan is a web-accessible program designed for searching three-dimensional (3D) protein fragments similar in structure to known active, binding and posttranslational modification sites. A collection of known sites we designated as PDBSite was set up by automated processing of the PDB database using the data on site localization in the SITE field. Additionally, protein-protein interaction sites were generated by analysis of atom coordinates in heterocomplexes. The total number of collected sites was more than 8100; they were assigned to more than 80 functional groups. PDBSiteScan provides automated search of the 3D protein fragments whose maximum distance mismatch (MDM) between N, Calpha and C atoms in a fragment and a functional site is not larger than the MDM threshold defined by the user. PDBSiteScan requires perfect matching of amino acids. PDBSiteScan enables recognition of functional sites in tertiary structures of proteins and allows proteins with functional information to be annotated. The program PDBSiteScan is available at http://wwwmgs.bionet.nsc.ru/mgs/systems/fastprot/pdbsitescan.html.

Binding Sites↗

PubMed2002

Database of patterns PROF_PAT for detecting local similarities.

We have developed PROF_PAT, a database of patterns, constructed for groups of related proteins and designed to maximize representation of amino acid sequences from the SWISS-PROT database. The purpose of the current study was to demonstrate that PROT_PAT is not only as good as known analogs but surpasses them in some features. 10938 new amino acid sequences from the SWISS-PROT bank were compared with patterns constructed for protein families in the PROF_PAT 1.10 bank. The aim of the comparisons was to estimate some threshold values of "Score" parameter to distinguish random similarities from significant ones. From the 10938 new sequences, 638 did not reveal any similarities with PROF_PAT patterns. Cases of found similarities were divided into three sets: 'positive', 'putative' (or 'unknown'), and 'false positive', containing 7719, 2297 and 284 sequences respectively. Using 20 amino acid sequences from the TrEMBL bank that have no descriptions, PROF_PAT demonstrated specificity at a level that was as good as the best-known "secondary" banks. At the same time, its pattern content and variety of included proteins was significantly richer, and its search speed was 3-10 times higher than those of any other protein family bank used for comparison.

Amino Acid Sequence↗