Dataset Information

FragKB: structural and literature annotation resource of conserved peptide fragments and residues.

ABSTRACT: BACKGROUND: FragKB (Fragment Knowledgebase) is a repository of clusters of structurally similar fragments from proteins. Fragments are annotated with information at the level of sequence, structure and function, integrating biological descriptions derived from multiple existing resources and text mining. METHODOLOGY: FragKB contains approximately 400,000 conserved fragments from 4,800 representative proteins from PDB. Literature annotations are extracted from more than 1,700 articles and are available for over 12,000 fragments. The underlying systematic annotation workflow of FragKB ensures efficient update and maintenance of this database. The information in FragKB can be accessed through a web interface that facilitates sequence and structural visualization of fragments together with known literature information on the consequences of specific residue mutations and functional annotations of proteins and fragment clusters. FragKB is accessible online at http://ubio.bioinfo.cnio.es/biotools/fragkb/. SIGNIFICANCE: The information presented in FragKB can be used for modeling protein structures, for designing novel proteins and for functional characterization of related fragments. The current release is focused on functional characterization of proteins through inspection of conservation of the fragments.

SUBMITTER: Tendulkar AV

PROVIDER: S-EPMC2841175 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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FragKB: structural and literature annotation resource of conserved peptide fragments and residues.

Tendulkar Ashish V AV Krallinger Martin M de la Torre Victor V López Gonzalo G Wangikar Pramod P PP Valencia Alfonso A

PloS one 20100318 3

<h4>Background</h4>FragKB (Fragment Knowledgebase) is a repository of clusters of structurally similar fragments from proteins. Fragments are annotated with information at the level of sequence, structure and function, integrating biological descriptions derived from multiple existing resources and text mining.<h4>Methodology</h4>FragKB contains approximately 400,000 conserved fragments from 4,800 representative proteins from PDB. Literature annotations are extracted from more than 1,700 article ...[more]

PMID: 20305778

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Project description:BackgroundInsight into the function of carbohydrate-active enzymes is required to understand their biological role and industrial potential. There is a need for better use of the ample genomic data in order to enable selection of the most interesting proteins for further studies. The basis for elaborating a new approach to sequence analysis is the hypothesis that when using conserved peptide patterns to determine the similarities between proteins, the exact spacing between conserved adjacent amino acids in the proteins plays a prominent functional role. Thus, the objective of developing the method of conserved unique peptide patterns (CUPP) is to construct a peptide-based grouping and validate the method to provide evidence that CUPP captures function-related features of the individual carbohydrate-active enzymes (as defined by CAZy families). This approach facilitates grouping of enzymes at a level lower than protein families and/or subfamilies. A standardized, efficient, and robust approach to functional annotation of carbohydrate-active enzymes would support improved molecular insight into enzyme-substrate interaction.ResultsA new nonalignment-based clustering and functional annotation tool was developed that uses conserved unique peptides patterns to perform automated clustering of proteins and formation of protein groups. A peptide-based model was constructed for each of these protein CUPP groups to be used to automatically annotate protein family, subfamily, and EC function of carbohydrate-active enzymes. CUPP prediction can annotate proteins (from any CAZy family) with high F-score to existing family (0.966), subfamily (0.961), and EC-function (0.843). The speed of the CUPP program was estimated and exemplified by prediction of the 504,017 nonredundant proteins of CAZy in less than four CPU hours.ConclusionIt was possible to construct an automated system for clustering proteins within families and use the resulting CUPP groups to directly build peptide-based models for genome annotation. The CUPP runtime, F-score, sensitivity, and precisions of family and subfamily annotations match or represent an improvement compared to state-of-the-art tools. The speed of the CUPP annotation is similar to the rapid DIAMOND annotation tool. CUPP facilitates automated annotation of full genome assemblies to any CAZy family.

Dataset Information

FragKB: structural and literature annotation resource of conserved peptide fragments and residues.

Publications

FragKB: structural and literature annotation resource of conserved peptide fragments and residues.

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