ZincExplorer: an accurate hybrid method to improve the prediction of zinc-binding sites from protein sequences.

Abstract:

:As one of the most important trace elements within an organism, zinc has been shown to be involved in numerous biological processes and closely implicated in various diseases. The zinc ion is important for proteins to perform their functional roles. To provide in-depth functional annotation of zinc-binding proteins, an initial but crucial step is the accurate recognition of zinc-binding sites. Motivated by the biological importance of zinc, we propose a new method called ZincExplorer to predict zinc-binding sites from protein sequences. ZincExplorer is a hybrid method that can accurately predict zinc-binding sites from protein sequences. It integrates the outputs of three different types of predictors, namely, SVM-, cluster- and template-based predictors. Four types of zinc-binding amino acids CHEDs (i.e. CYS, HIS, ASP and GLU) could be predicted using ZincExplorer. It achieved a high AURPC (Area Under Recall-Precision Curve) of 0.851, and a precision of 85.6% (specificity = 98.4%, MCC = 0.747) at the 70.0% recall for the CHEDs on the 5-fold cross-validation test. When tested on an independent dataset containing 2023 zinc-binding CHEDs and 14,493 non-zinc-binding CHEDs, it achieved about 3-8% higher AURPC in comparison to two other sequence-based predictors. Moreover, ZincExplorer could also identify the interdependent relationships (IRs) of the predicted zinc-binding sites bound to the same zinc ion, which makes it a useful tool for providing in-depth zinc-binding site annotation.

journal_name

Mol Biosyst

journal_title

Molecular bioSystems

authors

Chen Z,Wang Y,Zhai YF,Song J,Zhang Z

doi

10.1039/c3mb70100j

subject

Has Abstract

pub_date

2013-09-01 00:00:00

pages

2213-22

issue

9

eissn

1742-206X

issn

1742-2051

journal_volume

9

pub_type

杂志文章
  • A quinazoline-based HDAC inhibitor affects gene expression pathways involved in cholesterol biosynthesis and mevalonate in prostate cancer cells.

    abstract::Chronic inflammation can lead to the development of cancers and resolution of inflammation is an ongoing challenge. Inflammation can result from dysregulation of the epigenome and a number of compounds that modify the epigenome are in clinical use. In this study the anti-inflammatory and anti-cancer effects of a quina...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c5mb00554j

    authors: Lin Z,Bishop KS,Sutherland H,Marlow G,Murray P,Denny WA,Ferguson LR

    更新日期:2016-03-01 00:00:00

  • Learning the molecular mechanisms of the reprogramming factors: let's start from microRNAs.

    abstract::Induced reprogramming of somatic cells has had a great impact on stem cell research, and the reprogramming technologies have evolved from four transgenic factors (Oct4, Sox2, Klf4, and c-Myc; OSKM) to just a few microRNAs (mainly miR-290/302 seed family). Despite these advances, the molecular events occurring during v...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/c2mb25088h

    authors: Yang CS,Rana TM

    更新日期:2013-01-27 00:00:00

  • Effect of small molecules on cell reprogramming.

    abstract::The essential idea of regenerative medicine is to fix or replace tissues or organs with alive and patient-specific implants. Pluripotent stem cells are able to indefinitely self-renew and differentiate into all cell types of the body which makes them a potent substantial player in regenerative medicine. The easily acc...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/c6mb00595k

    authors: Baranek M,Belter A,Naskręt-Barciszewska MZ,Stobiecki M,Markiewicz WT,Barciszewski J

    更新日期:2017-01-31 00:00:00

  • Closing in on complete pathways of biotin biosynthesis.

    abstract::Biotin is an enzyme cofactor indispensable to metabolic fixation of carbon dioxide in all three domains of life. Although the catalytic and physiological roles of biotin have been well characterized, the biosynthesis of biotin remains to be fully elucidated. Studies in microbes suggest a two-stage biosynthetic pathway...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/c1mb05022b

    authors: Lin S,Cronan JE

    更新日期:2011-06-01 00:00:00

  • Multi-well fungal co-culture for de novo metabolite-induction in time-series studies based on untargeted metabolomics.

    abstract::The induction of fungal metabolites by fungal co-cultures grown on solid media was explored using multi-well co-cultures in 2 cm diameter Petri dishes. Fungi were grown in 12-well plates to easily and rapidly obtain the large number of replicates necessary for employing metabolomic approaches. Fungal culture using suc...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c4mb00223g

    authors: Bertrand S,Azzollini A,Schumpp O,Bohni N,Schrenzel J,Monod M,Gindro K,Wolfender JL

    更新日期:2014-07-29 00:00:00

  • Single molecule biology: coming of age.

    abstract::Cellular heterogeneity and stochastic fluctuation play key roles in biological processes. Single molecule approaches have the key advantage of avoiding ensemble averaging, allowing the observation of transient intermediates and heterogeneity (both static and dynamic). Thus they have revolutionised the way many biologi...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/b702845h

    authors: Ying L

    更新日期:2007-06-01 00:00:00

  • UHPLC-LTQ-Orbitrap MS combined with spike-in method for plasma metabonomics analysis of acute myocardial ischemia rats and pretreatment effect of Danqi Tongmai tablet.

    abstract::Undoubtedly, metabonomics can reveal the comprehensive efficacies of traditional Chinese medicine (TCM) formulae and its complex mechanism at the molecular biological level. In this study, an attempt was made to address the pretreatment effect of a TCM formula. In this case, as a critical point, we should first know h...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c4mb00529e

    authors: Yan B,Deng Y,Hou J,Bi Q,Yang M,Jiang B,Liu X,Wu W,Guo D

    更新日期:2015-02-01 00:00:00

  • Chemical biology suggests a role for calcium signaling in mediating sustained JNK activation during apoptosis.

    abstract::Calcium (Ca(2+)) is used as a signaling molecule to regulate many cellular processes. Calcium signaling generally involves transient elevations of the concentration of free Ca(2+) in the cytosol. More pronounced and sustained elevations of intracellular Ca(2+) concentrations are observed during apoptosis (programmed c...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/b920805d

    authors: Brnjic S,Olofsson MH,Havelka AM,Linder S

    更新日期:2010-05-01 00:00:00

  • Synthesis of a large library of macrocyclic peptides containing multiple and diverse N-alkylated residues.

    abstract::Large combinatorial libraries of macrocyclic peptides are a useful source of bioactive compounds. However, peptides are not generally cell permeable, so there is great interest in the development of methods to create large libraries of modified peptides. In particular, N-alkylation of peptides is known to improve thei...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c5mb00308c

    authors: Morimoto J,Kodadek T

    更新日期:2015-10-01 00:00:00

  • Large-scale investigation of oxygen response mutants in Saccharomyces cerevisiae.

    abstract::A genome-wide screen of a yeast non-essential gene-deletion library was used to identify sick phenotypes due to oxygen deprivation. The screen provided a manageable list of 384 potentially novel as well as known oxygen responding (anoxia-survival) genes. The gene-deletion mutants were further assayed for sensitivity t...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c3mb25516f

    authors: Samanfar B,Omidi K,Hooshyar M,Laliberte B,Alamgir M,Seal AJ,Ahmed-Muhsin E,Viteri DF,Said K,Chalabian F,Golshani A,Wainer G,Burnside D,Shostak K,Bugno M,Willmore WG,Smith ML,Golshani A

    更新日期:2013-06-01 00:00:00

  • Predicting the multi-modal binding propensity of small molecules: towards an understanding of drug promiscuity.

    abstract::Drug promiscuity is one of the key issues in current drug development. Many famous drugs have turned out to behave unexpectedly due to their propensity to bind to multiple targets. One of the primary reasons for this promiscuity is that drugs bind to multiple distinctive target environments, a feature that we call mul...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/b901356c

    authors: Park K,Lee S,Ahn HS,Kim D

    更新日期:2009-08-01 00:00:00

  • Developing synthetic conical nanopores for biosensing applications.

    abstract::In this review we bring together recent results from our group focused towards the development of biosensors from single conically-shaped artificial nanopores. The nanopores, used in the work presented here, were prepared using the track-etch process. The fabrication of track-etched conical nanopores has been optimize...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/b708725j

    authors: Sexton LT,Horne LP,Martin CR

    更新日期:2007-10-01 00:00:00

  • System properties of ErbB receptor signaling for the understanding of cancer progression.

    abstract::An intracellular signal transduction network constitutes an assembled machinery to control the dynamics of kinase-phosphatase cascade and gene expression. Spatio-temporal analyses of the cellular process can explain the biochemical role of the receptor tyrosine kinases in cancer development from a system point of view...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/b612800a

    authors: Hatakeyama M

    更新日期:2007-02-01 00:00:00

  • Leveraging kinase inhibitors to develop small molecule tools for imaging kinases by fluorescence microscopy.

    abstract::As the usage of fluorescence microscopy as a tool to study biological systems continues to grow, so does the need for additional tools that permit the selective detection of proteins of interest. Existing selective and well-characterized kinase inhibitors may be exploited to develop novel small molecule probes useful ...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c2mb25099c

    authors: Zhang Z,Kwiatkowski N,Zeng H,Lim SM,Gray NS,Zhang W,Yang PL

    更新日期:2012-10-01 00:00:00

  • Selective targeting of MAPK family kinases JNK over p38 by rationally designed peptides as potential therapeutics for neurological disorders and epilepsy.

    abstract::Human mitogen-activated protein kinase (MAPK) family members JNK and p38 are two homologous protein-serine/threonine kinases but play distinct roles in the pathological process of neurological disorders. Selective targeting of JNK over p38 has been established as a potential therapeutic approach to epilepsy and other ...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c6mb00297h

    authors: Zhuo ZH,Sun YZ,Jin PN,Li FY,Zhang YL,Wang HL

    更新日期:2016-07-19 00:00:00

  • New insights into the complex regulation of the glycolytic pathway in Lactococcus lactis. II. Inference of the precisely timed control system regulating glycolysis.

    abstract::The dairy bacterium Lactococcus lactis has to master a complicated task. It must control its essentially linear glycolytic pathway in such a fashion that, when the substrate, glucose, runs out, it retains enough phosphoenolpyruvate and fructose-1,6-bisphosphate to be able to restart glycolysis as soon as new glucose b...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c5mb00726g

    authors: Dolatshahi S,Fonseca LL,Voit EO

    更新日期:2016-01-01 00:00:00

  • Metabonomic analysis of the therapeutic effect of Potentilla discolor in the treatment of type 2 diabetes mellitus.

    abstract::Type 2 diabetes mellitus (T2DM) is increased worldwide in parallel with the obesity epidemic. Potentilla discolor is one of the most important crude materials in Traditional Chinese medicine (TCM) for therapy of hyperglycemia and hyperlipidemia. In this work, a plasma metabonomic approach based on the combination of U...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c4mb00278d

    authors: Li Y,Li JJ,Wen XD,Pan R,He YS,Yang J

    更新日期:2014-11-01 00:00:00

  • Perturbations in inter-domain associations may trigger the onset of pathogenic transformations in PrP(C): insights from atomistic simulations.

    abstract::Conversion of the predominantly α-helical cellular prion protein (PrP(C)) to the misfolded β-sheet enriched Scrapie form (PrP(Sc)) is a critical event in prion pathogenesis. However, the conformational triggers that lead to the isoform conversion (PrP(C) to PrP(Sc)) remain obscure, and conjectures about the role of un...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c4mb00689e

    authors: Menon S,Sengupta N

    更新日期:2015-05-01 00:00:00

  • Glycopeptide dendrimers: tuning carbohydrate-lectin interactions with amino acids.

    abstract::Glycodendrimers, such as glycoclusters and glycopolymers, are known to be very useful molecules to probe carbohydrate-lectin interactions. Herein, new second generation glycopeptide dendrimers (G2a-f) presenting a L-lysine-based (Lys) tetraantennary scaffold, four external thiomannosyl residues and, in the case of com...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c0mb00177e

    authors: Euzen R,Reymond JL

    更新日期:2011-02-01 00:00:00

  • Transcription regulatory networks in Caenorhabditis elegans inferred through reverse-engineering of gene expression profiles constitute biological hypotheses for metazoan development.

    abstract::Differential gene expression governs the development, function and pathology of multicellular organisms. Transcription regulatory networks study differential gene expression at a systems level by mapping the interactions between regulatory proteins and target genes. While microarray transcription profiles are the most...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/B908108a

    authors: Vermeirssen V,Joshi A,Michoel T,Bonnet E,Casneuf T,Van de Peer Y

    更新日期:2009-12-01 00:00:00

  • Encompassing receptor flexibility in virtual screening using ensemble docking-based hybrid QSAR: discovery of novel phytochemicals for BACE1 inhibition.

    abstract::Mimicking receptor flexibility during receptor-ligand binding is a challenging task in computational drug design since it is associated with a large increase in the conformational search space. In the present study, we have devised an in silico design strategy incorporating receptor flexibility in virtual screening to...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c4mb00307a

    authors: Chakraborty S,Ramachandran B,Basu S

    更新日期:2014-10-01 00:00:00

  • Large-scale network models of IL-1 and IL-6 signalling and their hepatocellular specification.

    abstract::The pro-inflammatory cytokines interleukin 1 (IL-1) and 6 (IL-6) are crucially involved in the regulation of a multitude of physiological processes, in particular coordinating the immune response upon bacterial infection and tissue injury. Both interleukins induce complex signalling cascades and trigger the production...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c1mb05261f

    authors: Ryll A,Samaga R,Schaper F,Alexopoulos LG,Klamt S

    更新日期:2011-12-01 00:00:00

  • A C-di-GMP-proflavine-hemin supramolecular complex has peroxidase activity--implication for a simple colorimetric detection.

    abstract::Herein, we demonstrate that the bacterial signaling molecule, c-di-GMP, can enhance the peroxidation of hemin when proflavine is present. The c-di-GMP-proflavine-hemin nucleotidezyme can oxidize the colorless compound 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid), ABTS, to the colored radical cation ABTS˙(+) ...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c2mb05430b

    authors: Nakayama S,Roelofs K,Lee VT,Sintim HO

    更新日期:2012-03-01 00:00:00

  • Photocrosslinkers illuminate interactions in living cells.

    abstract::Transient and low-affinity interactions among macromolecules underlie many physiological events. Often, these interactions are difficult to study because they are not maintained when the participating molecules are removed from their cellular context. To circumvent this challenge, crosslinking reagents can be used to ...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/b803218a

    authors: Tanaka Y,Bond MR,Kohler JJ

    更新日期:2008-06-01 00:00:00

  • Identifying subcellular localizations of mammalian protein complexes based on graph theory with a random forest algorithm.

    abstract::In the post-genome era, one of the most important and challenging tasks is to identify the subcellular localizations of protein complexes, and further elucidate their functions in human health with applications to understand disease mechanisms, diagnosis and therapy. Although various experimental approaches have been ...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c3mb25451h

    authors: Li ZC,Lai YH,Chen LL,Chen C,Xie Y,Dai Z,Zou XY

    更新日期:2013-04-05 00:00:00

  • Investigating the functional implications of reinforcing feedback loops in transcriptional regulatory networks.

    abstract::Transcription factors (TFs) and microRNAs (miRNAs) can jointly regulate transcriptional networks in the form of recurrent circuits or motifs. A motif can be divided into a feedforward loop (FFL) and a feedback loop (FBL). Incoherent FFLs have been the recent focus due to their potential to dampen gene expression noise...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c4mb00526k

    authors: Li Y,Liang C,Easterbrook S,Luo J,Zhang Z

    更新日期:2014-12-01 00:00:00

  • Engineering and applications of genetic circuits.

    abstract::In the field of synthetic biology, recent genetic engineering efforts have enabled the construction of novel genetic circuits with diverse functionalities and unique activation mechanisms. Because of these advances, artificial genetic networks are becoming increasingly complex, and are demonstrating more robust behavi...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章,评审

    doi:10.1039/b700547d

    authors: Sayut DJ,Kambam PK,Sun L

    更新日期:2007-12-01 00:00:00

  • A pre-structured helix in the intrinsically disordered 4EBP1.

    abstract::The eIF4E-binding protein 1 (4EBP1) has long been known to be completely unstructured without any secondary structures, which contributed significantly to the proposal of the induced fit mechanism for target binding of intrinsically disordered proteins. We show here that 4EBP1 is not completely unstructured, but conta...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c4mb00532e

    authors: Kim DH,Lee C,Cho YJ,Lee SH,Cha EJ,Lim JE,Sabo TM,Griesinger C,Lee D,Han KH

    更新日期:2015-02-01 00:00:00

  • Global analysis of the yeast osmotic stress response by quantitative proteomics.

    abstract::Information on extracellular signals and conditions is often transduced by biological systems using cascades of protein phosphorylation that affect the activity of enzymes, the localization of proteins and gene expression. A model to study signal transduction is the response of the yeast Saccharomyces cerevisiae to os...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/b902256b

    authors: Soufi B,Kelstrup CD,Stoehr G,Fröhlich F,Walther TC,Olsen JV

    更新日期:2009-11-01 00:00:00

  • Effect of nucleobase change on cytosine deamination through DNA photo-cross-linking reaction via 3-cyanovinylcarbazole nucleoside.

    abstract::Photo-chemical deamination of cytosine using 3-cyanovinylcarbazole nucleoside (CNVK) mediated photo-cross-linking is a technique for site-directed mutagenesis. Using this technique in vivo requires the elimination of a high-temperature incubation step; instead, incubation should be carried out under physiological cond...

    journal_title:Molecular bioSystems

    pub_type: 杂志文章

    doi:10.1039/c7mb00082k

    authors: Sethi S,Ooe M,Sakamoto T,Fujimoto K

    更新日期:2017-06-01 00:00:00