• Title/Summary/Keyword: homology model

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Development of an Analysis Program of Type I Polyketide Synthase Gene Clusters Using Homology Search and Profile Hidden Markov Model

  • Tae, Hong-Seok;Sohng, Jae-Kyung;Park, Kie-Jung
    • Journal of Microbiology and Biotechnology
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    • v.19 no.2
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    • pp.140-146
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    • 2009
  • MAPSI(Management and Analysis for Polyketide Synthase Type I) has been developed to offer computational analysis methods to detect type I PKS(polyketide synthase) gene clusters in genome sequences. MAPSI provides a genome analysis component, which detects PKS gene clusters by identifying domains in proteins of a genome. MAPSI also contains databases on polyketides and genome annotation data, as well as analytic components such as new PKS assembly and domain analysis. The polyketide data and analysis component are accessible through Web interfaces and are displayed with diverse information. MAPSI, which was developed to aid researchers studying type I polyketides, provides diverse components to access and analyze polyketide information and should become a very powerful computational tool for polyketide research. The system can be extended through further studies of factors related to the biological activities of polyketides.

Cytokine-Inducing and T Cell Mitogenic Effects of Cordyceps hepialidicola

  • Lim, Jong-Soon;Kim, Seung-Hyung;Park, Jeong-Youl;Park, Jin-Seo;Park, Seong-Joo;Shin, Kwang-Soo
    • Journal of Microbiology
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    • v.39 no.3
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    • pp.181-185
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    • 2001
  • The morphological characteristics of newly isolated Cordyceps hepialidicola were characterized, and the phylogenetic relationships with other Cordyceps species were investigated using a sequence analysis of the internal transcribed spacer (ITS). The PCR product of 592 bp showed a homology of 92 and 91% with C. militaris and C. nutans, respectively, In an in vitro model using mouse peripheral blood mononuclear cells (PBMC), a methanol extract of C. hepialidicola induced multiple cytokines, including IFN-${\gamma}$ IL-4, and IL-18. The extract also enhanced the percentages of the CD4$\^$+/ and CD8$\sub$+/ T cells in the healthy murine PBMCs to 56.1% and 13.0%,respectively. The percentages of CD4$\^$+/ and CD8$\^$+/ in the untreated controls were 28.4 and 7.3%, and concanavalin A-treated positive controls were 62.4 and 18.3%, respectively.

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Tra2${\alpha}$ and hnRNP K might be Functional Partners of Rbm for Regulation of RNA Processes during Spermatogenesis

  • Lee, Jungmin;Kim, Euisu;Jang, Sung Key;Rhee, Kunsoo
    • Animal cells and systems
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    • v.8 no.1
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    • pp.65-70
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    • 2004
  • Rbm is a male infertility gene located in the AZFb region of the Y chromosome. Expression pattern of Rbm indicates that Rbm is critical for early phase of male germ cell development. It shares strong structural homology with hnRNP G, suggesting a function as an RNA processing factor. In order to gain a clue on the molecular mechanisms of Rbm on male germ cell development, we examined interactions of Rbm with selected proteins in yeast. The results revealed specific interactions between Rbm, hnRNP K and Tra2${\alpha}$. These results suggest that hnRNP K and Tra2${\alpha}$ may be functional partners of Rbm in male germ cells. We propose a model in which hnRNP K may playa role as a platform for Rbm and Tra2${\alpha}$.

Structural Assignment of a Type II PHA Synthase and an Insight Into Its Catalytic Mechanism Using Human Gastric Lipase as the Modeling Template

  • Khairudin, Nurul Bahiyah Ahmad;Samian, Mohd Razip;Najimudin, Nazalan;Wahab, Habibah A
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.173-182
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    • 2005
  • A three dimensional (3D) model for the catalytic region of Type II Pseudomonas sp. USM 4-55 PHA synthase 1 (PhaC1$_{P.sp\;USM\;4-55}$) from residue 267 to residue 484 was developed. Sequence analysis demonstrated that PhaC1$_{P.sp\;USM\;4-55}$ lacked homology with all known structural databases. PSI-BLAST and HMM Superfamily analyses demonstrated that this enzyme belongs to the ${\alpha}/{\beta}$ hydrolase fold family. Threading approach revealed that the most suitable template to use was the Human gastric lipase (1HLG). The superimposition of the predicted PhaC1$_{P.sp\;USM\;4-55}$ model with the 1HLG template structure covering 86.2% of the backbone atoms showed an RMSD of 1.15 ${\AA}$ The catalytic residues comprising of Cys296, Asp451, His452 and His479 were found to be conserved and were located adjacent to each other. We proposed that the catalytic mechanism involved the formation of two tetrahedral intermediates.

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An Anisotropic Elasto-Plastic Constitutive Model Based on the Generalized Isotropic Hardening Rule for Clays (일반 등방경화규칙에 의거한 점토의 비등방 탄소성 구성모델)

  • 이승래;오세붕
    • Geotechnical Engineering
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    • v.10 no.3
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    • pp.17-32
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    • 1994
  • To model the anisotropic behavior of soils in the case of reverse loading, an anisotropic hardening description is proposed on the basis of generalized isotropic hardening(GIH) rule. There is a core of the GIH rule in the allowance of the concept that the center of homology of isotropic hardening can be any proper stress states inside a yield surface. The plastic deformations could be represented for the condition of reverse loading, and an explicit constitutive relationship was formulated by utilizing a simple hardening function. The proposed hardening description has been compared with other anisotropic hardening models. For verification three sets of triaxial test results have been predicted for the drained and undrained behavior of overconsolidated clays and Ko consolidated clays.

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Anlaysis of Eukaryotic Sequence Pattern using GenScan (GenScan을 이용한 진핵생물의 서열 패턴 분석)

  • Jung, Yong-Gyu;Lim, I-Suel;Cha, Byung-Heun
    • The Journal of the Institute of Internet, Broadcasting and Communication
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    • v.11 no.4
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    • pp.113-118
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    • 2011
  • Sequence homology analysis in the substances in the phenomenon of life is to create database by sorting and indexing and to demonstrate the usefulness of informatics. In this paper, Markov models are used in GenScan program to convert the pattern of complex eukaryotic protein sequences. It becomes impossible to navigate the minimum distance, complexity increases exponentially as the exact calculation. It is used scorecard in amino acid substitutions between similar amino acid substitutions to have a differential effect score, and is applied the Markov models sophisticated concealment of the transition probability model. As providing superior method to translate sequences homologous sequences in analysis using blast p, Markov models. is secreted protein structure of sequence translations.

Genetic Variation of Rice Populations Estimated Using nrDNA ITS Region Sequence

  • Wang, Dong;Hong, Soon-Kwan
    • Korean Journal of Plant Resources
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    • v.27 no.3
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    • pp.249-255
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    • 2014
  • The rice belonging to Oryza sativa is not only has significant economic importance, for it is the major source of nutrition for about 3 billion all around the world. But also plays a vital role as a model organism, because it has a number of advantages to be a model plant, such as efficient transformation system and small genome size. Many methods and techniques have been conducted to attempt to distinguish different Oryza sativa species, such as amplified fragment length polymorphism (AFLP), random amplified polymorphic DNA (RAPD), simple sequence repeat (SSR) and so on. However, studies using sequence analysis of internal transcribed spacer (ITS), a region of ribosomal RNA has not been reported until now. This study was undertaken with an aim to understand the phylogenetic relationships among sixteen isolates of Oryza sativa collected from abroad and fifteen isolates collected from Korea, using ribosomal RNA (rRNA) internal transcribed spacer (ITS) sequences to compare the phylogeny relationships among different Oryza sativa species. The size variation obtained among sequenced nuclear ribosomal DNA (nrDNA) ITS region ranged from 515bp to 1000bp. The highest interspecific genetic distance (GD) was found between Sfejare 45 (FR12) and Anapuruna (FR15). Taebong isolate showed the least dissimilarity of the ITS region sequence with other thirty isolates. This consequence will help us further understanding molecular diversification in intra-species population and their phylogenetic analysis.

In silico detection and characterization of novel virulence proteins of the emerging poultry pathogen Gallibacterium anatis

  • L. G. T. G. Rajapaksha;C. W. R. Gunasekara;P. S. de Alwis
    • Genomics & Informatics
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    • v.20 no.4
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    • pp.41.1-41.9
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    • 2022
  • The pathogen Gallibacterium anatis has caused heavy economic losses for commercial poultry farms around the world. However, despite its importance, the functions of its hypothetical proteins (HPs) have been poorly characterized. The present study analyzed the functions and structures of HPs obtained from Gallibacterium anatis (NCTC11413) using various bioinformatics tools. Initially, all the functions of HPs were predicted using the VICMpred tool, and the physicochemical properties of the identified virulence proteins were then analyzed using Expasy's ProtParam server. A virulence protein (WP_013745346.1) that can act as a potential drug target was further analyzed for its secondary structure, followed by homology modeling and three-dimensional (3D) structure determination using the Swiss-Model and Phyre2 servers. The quality assessment and validation of the 3D model were conducted using ERRAT, Verify3D, and PROCHECK programs. The functional and phylogenetic analysis was conducted using ProFunc, STRING, KEGG servers, and MEGA software. The bioinformatics analysis revealed 201 HPs related to cellular processes (n = 119), metabolism (n = 61), virulence (n = 11), and information/storage molecules (n = 10). Among the virulence proteins, three were detected as drug targets and six as vaccine targets. The characterized virulence protein WP_013745346.1 is proven to be stable, a drug target, and an enzyme related to the citrate cycle in the present pathogen. This enzyme was also found to facilitate other metabolic pathways, the biosynthesis of secondary metabolites, and the biosynthesis of amino acids.

Effects of N-/C-Terminal Extra Tags on the Optimal Reaction Conditions, Activity, and Quaternary Structure of Bacillus thuringiensis Glucose 1-Dehydrogenase

  • Hyun, Jeongwoo;Abigail, Maria;Choo, Jin Woo;Ryu, Jin;Kim, Hyung Kwoun
    • Journal of Microbiology and Biotechnology
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    • v.26 no.10
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    • pp.1708-1716
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    • 2016
  • Glucose dehydrogenase (GDH) is an oxidoreductase enzyme and is used as a biocatalyst to regenerate NAD(P)H in reductase-mediated chiral synthesis reactions. In this study, the glucose 1-dehydrogenase B gene (gdhB) was cloned from Bacillus thuringiensis subsp. kurstaki, and wild-type (GDH-BTWT) and His-tagged (GDH-BTN-His, GDH-BTC-His) enzymes were produced in Escherichia coli BL21 (DE3). All enzymes were produced in the soluble forms from E. coli. GDH-BTWT and GDH-BTN-His showed high specific enzymatic activities of 6.6 U/mg and 5.5 U/mg, respectively, whereas GDH-BTC-His showed a very low specific enzymatic activity of 0.020 U/mg. These results suggest that the intact C-terminal carboxyl group is important for GDH-BT activity. GDH-BTWT was stable up to 65℃, whereas GDH-BTN-His and GDH-BTC-His were stable up to 45℃. Gel permeation chromatography showed that GDH-BTWT is a dimer, whereas GDH-BTN-His and GDH-BTC-His are monomeric. These results suggest that the intact N- and C-termini are required for GDH-BT to maintain thermostability and to form its dimer structure. The homology model of the GDH-BTWT single subunit was constructed based on the crystal structure of Bacillus megaterium GDH (PDB ID 3AY6), showing that GDH-BTWT has a Rossmann fold structure with its N- and C-termini located on the subunit surface, which suggests that His-tagging affected the native dimer structure. GDH-BTWT and GDH-BTN-His regenerated NADPH in a yeast reductase-mediated chiral synthesis reaction, suggesting that these enzymes can be used as catalysts in fine-chemical and pharmaceutical industries.

Theoretical Investigations on Structure and Function of Human Homologue hABH4 of E.coli ALKB4

  • Shankaracharya, Shankaracharya;Das, Saibal;Prasad, Dinesh;Vidyarthi, Ambarish Sharan
    • Interdisciplinary Bio Central
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    • v.2 no.3
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    • pp.8.1-8.5
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    • 2010
  • Introduction: Recently identified human homologues of ALKB protein have shown the activity of DNA damaging drugs, used for cancer therapy. Bioinformatics study of hABH2 and hABH3 had led to the discovery of a novel DNA repair mechanism. Very little is known about structure and function of hABH4, one of the members of this superfamily. Therefore, in present study we are intended to predict its structure and function through various bioinformatics tools. Materials and Methods: Modeling was done with modeler 9v7 to predict the 3D structure of the hABH4 protein. This model was validated with the program Procheck using Ramachandran plot statistics and was submitted to PMDB with ID PM0076284. The 3d2GO server was used to predict the functions. Residues at protein ligand and protein RNA binding sites were predicted with 3dLigandSite and KYG programs respectively. Results and Discussion: 3-D model of hABH4, ALKBH4.B99990003.pdb was predicted and evaluated. Validation result showed that 96.4 % residues lies in favored and additional allowed region of Ramachandran plot. Ligand binding residues prediction showed four Ligand clusters, having 24 ligands in cluster 1. Importantly, conserved pattern of Glu196-X-Pro198- Xn-His254 in the functional domain was detected. DNA and RNA binding sites were also predicted in the model. Conclusion and Prospects: The predicted and validated model of human homologue hABH4 resulted from this study may unveil the mechanism of DNA damage repair in human and accelerate the research on designing of appropriate inhibitors aiding in chemotherapy and cancer related diseases.