PDB-UF: database of predicted enzymatic functions for unannotated protein structures from structural genomics.

Abstract:

BACKGROUND:The number of protein structures from structural genomics centers dramatically increases in the Protein Data Bank (PDB). Many of these structures are functionally unannotated because they have no sequence similarity to proteins of known function. However, it is possible to successfully infer function using only structural similarity. RESULTS:Here we present the PDB-UF database, a web-accessible collection of predictions of enzymatic properties using structure-function relationship. The assignments were conducted for three-dimensional protein structures of unknown function that come from structural genomics initiatives. We show that 4 hypothetical proteins (with PDB accession codes: 1VH0, 1NS5, 1O6D, and 1TO0), for which standard BLAST tools such as PSI-BLAST or RPS-BLAST failed to assign any function, are probably methyltransferase enzymes. CONCLUSION:We suggest that the structure-based prediction of an EC number should be conducted having the different similarity score cutoff for different protein folds. Moreover, performing the annotation using two different algorithms can reduce the rate of false positive assignments. We believe, that the presented web-based repository will help to decrease the number of protein structures that have functions marked as "unknown" in the PDB file. AVAILABILITY:http://paradox.harvard.edu/PDB-UF and http://bioinfo.pl/PDB-UF.

journal_name

BMC Bioinformatics

journal_title

BMC bioinformatics

authors

von Grotthuss M,Plewczynski D,Ginalski K,Rychlewski L,Shakhnovich EI

doi

10.1186/1471-2105-7-53

keywords:

subject

Has Abstract

pub_date

2006-02-06 00:00:00

pages

53

issn

1471-2105

pii

1471-2105-7-53

journal_volume

7

pub_type

杂志文章
  • A semi-parametric statistical model for integrating gene expression profiles across different platforms.

    abstract:BACKGROUND:Determining differentially expressed genes (DEGs) between biological samples is the key to understand how genotype gives rise to phenotype. RNA-seq and microarray are two main technologies for profiling gene expression levels. However, considerable discrepancy has been found between DEGs detected using the t...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-015-0847-y

    authors: Lyu Y,Li Q

    更新日期:2016-01-11 00:00:00

  • Predicting variant deleteriousness in non-human species: applying the CADD approach in mouse.

    abstract:BACKGROUND:Predicting the deleteriousness of observed genomic variants has taken a step forward with the introduction of the Combined Annotation Dependent Depletion (CADD) approach, which trains a classifier on the wealth of available human genomic information. This raises the question whether it can be done with less ...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-018-2337-5

    authors: Groß C,de Ridder D,Reinders M

    更新日期:2018-10-12 00:00:00

  • Assessment of k-mer spectrum applicability for metagenomic dissimilarity analysis.

    abstract:BACKGROUND:A rapidly increasing flow of genomic data requires the development of efficient methods for obtaining its compact representation. Feature extraction facilitates classification, clustering and model analysis for testing and refining biological hypotheses. "Shotgun" metagenome is an analytically challenging ty...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-015-0875-7

    authors: Dubinkina VB,Ischenko DS,Ulyantsev VI,Tyakht AV,Alexeev DG

    更新日期:2016-01-16 00:00:00

  • Usability of human Infinium MethylationEPIC BeadChip for mouse DNA methylation studies.

    abstract:BACKGROUND:The advent of array-based genome-wide DNA methylation methods has enabled quantitative measurement of single CpG methylation status at relatively low cost and sample input. Whereas the use of Infinium Human Methylation BeadChips has shown great utility in clinical studies, no equivalent tool is available for...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-017-1870-y

    authors: Needhamsen M,Ewing E,Lund H,Gomez-Cabrero D,Harris RA,Kular L,Jagodic M

    更新日期:2017-11-15 00:00:00

  • Homology induction: the use of machine learning to improve sequence similarity searches.

    abstract:BACKGROUND:The inference of homology between proteins is a key problem in molecular biology The current best approaches only identify approximately 50% of homologies (with a false positive rate set at 1/1000). RESULTS:We present Homology Induction (HI), a new approach to inferring homology. HI uses machine learning to...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-3-11

    authors: Karwath A,King RD

    更新日期:2002-04-23 00:00:00

  • Identifying overrepresented concepts in gene lists from literature: a statistical approach based on Poisson mixture model.

    abstract:BACKGROUND:Large-scale genomic studies often identify large gene lists, for example, the genes sharing the same expression patterns. The interpretation of these gene lists is generally achieved by extracting concepts overrepresented in the gene lists. This analysis often depends on manual annotation of genes based on c...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-11-272

    authors: He X,Sarma MS,Ling X,Chee B,Zhai C,Schatz B

    更新日期:2010-05-20 00:00:00

  • Can Zipf's law be adapted to normalize microarrays?

    abstract:BACKGROUND:Normalization is the process of removing non-biological sources of variation between array experiments. Recent investigations of data in gene expression databases for varying organisms and tissues have shown that the majority of expressed genes exhibit a power-law distribution with an exponent close to -1 (i...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-6-37

    authors: Lu T,Costello CM,Croucher PJ,Häsler R,Deuschl G,Schreiber S

    更新日期:2005-02-23 00:00:00

  • Normalized N50 assembly metric using gap-restricted co-linear chaining.

    abstract:BACKGROUND:For the development of genome assembly tools, some comprehensive and efficiently computable validation measures are required to assess the quality of the assembly. The mostly used N50 measure summarizes the assembly results by the length of the scaffold (or contig) overlapping the midpoint of the length-orde...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-13-255

    authors: Mäkinen V,Salmela L,Ylinen J

    更新日期:2012-10-03 00:00:00

  • TreeDyn: towards dynamic graphics and annotations for analyses of trees.

    abstract:BACKGROUND:Analyses of biomolecules for biodiversity, phylogeny or structure/function studies often use graphical tree representations. Many powerful tree editors are now available, but existing tree visualization tools make little use of meta-information related to the entities under study such as taxonomic descriptio...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-7-439

    authors: Chevenet F,Brun C,Bañuls AL,Jacq B,Christen R

    更新日期:2006-10-10 00:00:00

  • The GMOseek matrix: a decision support tool for optimizing the detection of genetically modified plants.

    abstract:BACKGROUND:Since their first commercialization, the diversity of taxa and the genetic composition of transgene sequences in genetically modified plants (GMOs) are constantly increasing. To date, the detection of GMOs and derived products is commonly performed by PCR-based methods targeting specific DNA sequences introd...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-14-256

    authors: Block A,Debode F,Grohmann L,Hulin J,Taverniers I,Kluga L,Barbau-Piednoir E,Broeders S,Huber I,Van den Bulcke M,Heinze P,Berben G,Busch U,Roosens N,Janssen E,Žel J,Gruden K,Morisset D

    更新日期:2013-08-22 00:00:00

  • MRCQuant- an accurate LC-MS relative isotopic quantification algorithm on TOF instruments.

    abstract:BACKGROUND:Relative isotope abundance quantification, which can be used for peptide identification and differential peptide quantification, plays an important role in liquid chromatography-mass spectrometry (LC-MS)-based proteomics. However, several major issues exist in the relative isotopic quantification of peptides...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-12-74

    authors: Haskins WE,Petritis K,Zhang J

    更新日期:2011-03-15 00:00:00

  • Computational evaluation of TIS annotation for prokaryotic genomes.

    abstract:BACKGROUND:Accurate annotation of translation initiation sites (TISs) is essential for understanding the translation initiation mechanism. However, the reliability of TIS annotation in widely used databases such as RefSeq is uncertain due to the lack of experimental benchmarks. RESULTS:Based on a homogeneity assumptio...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-9-160

    authors: Hu GQ,Zheng X,Ju LN,Zhu H,She ZS

    更新日期:2008-03-25 00:00:00

  • BISR-RNAseq: an efficient and scalable RNAseq analysis workflow with interactive report generation.

    abstract:BACKGROUND:RNA sequencing has become an increasingly affordable way to profile gene expression patterns. Here we introduce a workflow implementing several open-source softwares that can be run on a high performance computing environment. RESULTS:Developed as a tool by the Bioinformatics Shared Resource Group (BISR) at...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-019-3251-1

    authors: Gadepalli VS,Ozer HG,Yilmaz AS,Pietrzak M,Webb A

    更新日期:2019-12-20 00:00:00

  • Identification and utilization of inter-species conserved (ISC) probesets on Affymetrix human GeneChip platforms for the optimization of the assessment of expression patterns in non human primate (NHP) samples.

    abstract:BACKGROUND:While researchers have utilized versions of the Affymetrix human GeneChip for the assessment of expression patterns in non human primate (NHP) samples, there has been no comprehensive sequence analysis study undertaken to demonstrate that the probe sequences designed to detect human transcripts are reliably ...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-5-165

    authors: Wang Z,Lewis MG,Nau ME,Arnold A,Vahey MT

    更新日期:2004-10-26 00:00:00

  • ImiRP: a computational approach to microRNA target site mutation.

    abstract:BACKGROUND:MicroRNAs (miRNAs) are small ~22 nucleotide non-coding RNAs that function as post-transcriptional regulators of messenger RNA (mRNA) through base-pairing to 6-8 nucleotide long target sites, usually located within the mRNA 3' untranslated region. A common approach to validate and probe microRNA-mRNA interact...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-016-1057-y

    authors: Ryan BC,Werner TS,Howard PL,Chow RL

    更新日期:2016-04-27 00:00:00

  • MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data.

    abstract:BACKGROUND:Mass spectrometry (MS) coupled with online separation methods is commonly applied for differential and quantitative profiling of biological samples in metabolomic as well as proteomic research. Such approaches are used for systems biology, functional genomics, and biomarker discovery, among others. An ongoin...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-11-395

    authors: Pluskal T,Castillo S,Villar-Briones A,Oresic M

    更新日期:2010-07-23 00:00:00

  • OmicsARules: a R package for integration of multi-omics datasets via association rules mining.

    abstract:BACKGROUND:The improvements of high throughput technologies have produced large amounts of multi-omics experiments datasets. Initial analysis of these data has revealed many concurrent gene alterations within single dataset or/and among multiple omics datasets. Although powerful bioinformatics pipelines have been devel...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-019-3171-0

    authors: Chen D,Zhang F,Zhao Q,Xu J

    更新日期:2019-11-08 00:00:00

  • Predicting and improving the protein sequence alignment quality by support vector regression.

    abstract:BACKGROUND:For successful protein structure prediction by comparative modeling, in addition to identifying a good template protein with known structure, obtaining an accurate sequence alignment between a query protein and a template protein is critical. It has been known that the alignment accuracy can vary significant...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-8-471

    authors: Lee M,Jeong CS,Kim D

    更新日期:2007-12-03 00:00:00

  • Quality determination and the repair of poor quality spots in array experiments.

    abstract:BACKGROUND:A common feature of microarray experiments is the occurrence of missing gene expression data. These missing values occur for a variety of reasons, in particular, because of the filtering of poor quality spots and the removal of undefined values when a logarithmic transformation is applied to negative backgro...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-6-234

    authors: Tom BD,Gilks WR,Brooke-Powell ET,Ajioka JW

    更新日期:2005-09-26 00:00:00

  • Visualising very large phylogenetic trees in three dimensional hyperbolic space.

    abstract:BACKGROUND:Common existing phylogenetic tree visualisation tools are not able to display readable trees with more than a few thousand nodes. These existing methodologies are based in two dimensional space. RESULTS:We introduce the idea of visualising phylogenetic trees in three dimensional hyperbolic space with the Wa...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-5-48

    authors: Hughes T,Hyun Y,Liberles DA

    更新日期:2004-04-29 00:00:00

  • Subfamily specific conservation profiles for proteins based on n-gram patterns.

    abstract:BACKGROUND:A new algorithm has been developed for generating conservation profiles that reflect the evolutionary history of the subfamily associated with a query sequence. It is based on n-gram patterns (NP{n,m}) which are sets of n residues and m wildcards in windows of size n+m. The generation of conservation profile...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-9-72

    authors: Vries JK,Liu X

    更新日期:2008-01-30 00:00:00

  • Latent Semantic Indexing of PubMed abstracts for identification of transcription factor candidates from microarray derived gene sets.

    abstract:BACKGROUND:Identification of transcription factors (TFs) responsible for modulation of differentially expressed genes is a key step in deducing gene regulatory pathways. Most current methods identify TFs by searching for presence of DNA binding motifs in the promoter regions of co-regulated genes. However, this strateg...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-12-S10-S19

    authors: Roy S,Heinrich K,Phan V,Berry MW,Homayouni R

    更新日期:2011-10-18 00:00:00

  • Multi-resolution independent component analysis for high-performance tumor classification and biomarker discovery.

    abstract:BACKGROUND:Although high-throughput microarray based molecular diagnostic technologies show a great promise in cancer diagnosis, it is still far from a clinical application due to its low and instable sensitivities and specificities in cancer molecular pattern recognition. In fact, high-dimensional and heterogeneous tu...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-12-S1-S7

    authors: Han H,Li XL

    更新日期:2011-02-15 00:00:00

  • A fast indexing approach for protein structure comparison.

    abstract:BACKGROUND:Protein structure comparison is a fundamental task in structural biology. While the number of known protein structures has grown rapidly over the last decade, searching a large database of protein structures is still relatively slow using existing methods. There is a need for new techniques which can rapidly...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-11-S1-S46

    authors: Zhang L,Bailey J,Konagurthu AS,Ramamohanarao K

    更新日期:2010-01-18 00:00:00

  • A two-phase procedure for non-normal quantitative trait genetic association study.

    abstract:BACKGROUND:The nonparametric trend test (NPT) is well suitable for identifying the genetic variants associated with quantitative traits when the trait values do not satisfy the normal distribution assumption. If the genetic model, defined according to the mode of inheritance, is known, the NPT derived under the given g...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-016-0888-x

    authors: Zhang W,Li H,Li Z,Li Q

    更新日期:2016-01-28 00:00:00

  • proTRAC--a software for probabilistic piRNA cluster detection, visualization and analysis.

    abstract:BACKGROUND:Throughout the metazoan lineage, typically gonadal expressed Piwi proteins and their guiding piRNAs (~26-32nt in length) form a protective mechanism of RNA interference directed against the propagation of transposable elements (TEs). Most piRNAs are generated from genomic piRNA clusters. Annotation of experi...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-13-5

    authors: Rosenkranz D,Zischler H

    更新日期:2012-01-10 00:00:00

  • Bacterial protein meta-interactomes predict cross-species interactions and protein function.

    abstract:BACKGROUND:Protein-protein interactions (PPIs) can offer compelling evidence for protein function, especially when viewed in the context of proteome-wide interactomes. Bacteria have been popular subjects of interactome studies: more than six different bacterial species have been the subjects of comprehensive interactom...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/s12859-017-1585-0

    authors: Caufield JH,Wimble C,Shary S,Wuchty S,Uetz P

    更新日期:2017-03-16 00:00:00

  • Current approaches to gene regulatory network modelling.

    abstract::Many different approaches have been developed to model and simulate gene regulatory networks. We proposed the following categories for gene regulatory network models: network parts lists, network topology models, network control logic models, and dynamic models. Here we will describe some examples for each of these ca...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-8-S6-S9

    authors: Schlitt T,Brazma A

    更新日期:2007-09-27 00:00:00

  • Natural computation meta-heuristics for the in silico optimization of microbial strains.

    abstract:BACKGROUND:One of the greatest challenges in Metabolic Engineering is to develop quantitative models and algorithms to identify a set of genetic manipulations that will result in a microbial strain with a desirable metabolic phenotype which typically means having a high yield/productivity. This challenge is not only du...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-9-499

    authors: Rocha M,Maia P,Mendes R,Pinto JP,Ferreira EC,Nielsen J,Patil KR,Rocha I

    更新日期:2008-11-27 00:00:00

  • Predicting the interactome of Xanthomonas oryzae pathovar oryzae for target selection and DB service.

    abstract:BACKGROUND:Protein-protein interactions (PPIs) play key roles in various cellular functions. In addition, some critical inter-species interactions such as host-pathogen interactions and pathogenicity occur through PPIs. Phytopathogenic bacteria infect hosts through attachment to host tissue, enzyme secretion, exopolysa...

    journal_title:BMC bioinformatics

    pub_type: 杂志文章

    doi:10.1186/1471-2105-9-41

    authors: Kim JG,Park D,Kim BC,Cho SW,Kim YT,Park YJ,Cho HJ,Park H,Kim KB,Yoon KO,Park SJ,Lee BM,Bhak J

    更新日期:2008-01-24 00:00:00