• Title/Summary/Keyword: Structural homology

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Expression, Purification and NMR studies of SH3YL1 SH3 domain

  • Shrestha, Pravesh;Yun, Ji-Hye;Lee, Weon-Tae
    • Journal of the Korean Magnetic Resonance Society
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    • v.14 no.2
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    • pp.105-116
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    • 2010
  • SH3YL1, a novel protein containing one Src homology 3 domain at the carboxyl terminus was first detected in mouse anagen skin cDNA. This protein had a significant homology with YHRO 16c/Ysc 84, the yeast Src homology 3 domain-containing protein. The sequence identity was remarkable at the carboxyl and amino-terminal Src homology 3 domain, suggesting that the novel protein is a mouse homolog of the yeast protein and thus was termed as SH3YL1. SH3YL1 is composed of two domains, a DUF500 at N-termini and a SH3 domain at C-termini. In our study we cloned the SH3 domain in bacterial expression system in Escherichia coli using pET32a vector with TEV protease cleavage site and purified as a monomer using affinity chromatography. The N-terminal poly-Histidine tag was cleaved with TEV protease and target protein was used for backbone studies. Our study showed that SH3 domain primarily consists of $\beta$-sheet which is in consistence with previous result performed on the truncated SH3 domain of SH3YL1.

Structural Homology Design Using Equality Constraints (등제한조건 함수를 이용한 구조물의 호몰로지 설계)

  • Lee, Gwon-Hui;Park, Gyeong-Jin
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.20 no.3
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    • pp.872-881
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    • 1996
  • The concept of homology design has been devised for the application to large telescope structure by S.v.Hoerner. It is defined that the deformation of a structure shall be called homologous, if a given geometrical relation holds, for a given number of structural points, before, during, and after the deformation. Recently, the need of homology design in the structural design has been increase due to the required precision in the structure. Some researchers have utilized the theory on the structural design with finite element method in the late 1980s In the present investigation, a simple method using geometrical equality constraints is suggested to gain homologous deformation. The previous method is improved in that the decomposition of FEM eqation, which is very expensive, is not necessary. The basic formulations of the homology design with the optimization concept are described and several practical examples are solved to verify the usefulness and validity. Especially, a back-up structure of a satellite antenna is designed by the suggested method. The results are compared with those of existing researches.

Truss Ooptimization Using Homology Constraints under Multiple Loadings (호몰로지 제한조건을 이용한 다중하중하의 트러스 최적설계)

  • ;;;Kim, Kyung-Keun;Park, Gyung-Jin
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.20 no.9
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    • pp.2800-2811
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    • 1996
  • The deformation of a structure shall be called homologous, if a given geometrical relation holds, for a given number of structural points, before, during, and after the deformation. Some researchers have utilized the idea on structural design with finite element method. The approaches use the decomposition of the FEM equation or equality of eqality equations to obtain homologous deformation. However, weight reduction and response constraints such as stress, displacement or natural frequency cannot be considered by those theories. An optimization method solving the above problems is suggested to gain homologous deformation. Homology constraints can be considered under multiple loadindg conditions as well as a single loading condition. Homology index is defined for the multiple loading conditions Examples are solved to present the performances of the method.

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Analysis of the Structure-stability Relationship of Cold-adapted Lipase PsLip1 from Homology Modeling

  • Choo, Dong-Won
    • Genomics & Informatics
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    • v.9 no.2
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    • pp.79-84
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    • 2011
  • Two initial models of cold-adapted lipase PsLip1 have been constructed, based on homology with the bacterial lipases Chromobacterium viscosum (CvLip) and Pseudomonas cepacia (PcLip), whose X-ray structures have been solved and refined to high resolution. The mature polypeptide chains of these lipases have 84% similarity. The models of Mod1 and Mod2 have been compared with the tertiary structures of CvLip and PcLip, respectively, and analyzed in terms of stabilizing interactions. Several structural aspects that are believed to contribute to protein stability have been compared: the number of conserved salt bridges, aromatic interactions, hydrogen bonds, helix capping, and disulfide bridges. The 3-dimensional structural model of PsLip1 has been constructed in order to elucidate the structural reasons for the decreased thermostability of the enzyme in comparison with its mesophilic counterparts.

Theoretical Structure Prediction of Bradykinin Receptor B2 Using Comparative Modeling

  • Nagarajan, Santhosh Kumar;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.9 no.4
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    • pp.234-240
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    • 2016
  • Bradykinin receptor B2, a GPCR protein, binds with the inflammatory mediator hormone bradkynin. It plays an important role in cross-talk between the renin-angiotensin system (RAS) and the kinin-kallikrein system (KKS). Also, it is involved in many processes including vasodilation, edema, smooth muscle spasm and pain fiber stimulation. Hence, studuying the structural features of the receptor becomes important. But the unavailability of the three dimensional structure of the protein makes the analysis difficult. Hence we have performed the homology modelling of Bradykinin receptor B2 with 5 different templates. 25 different homology models were constructed. Two best models were selected based on the model validation. The developed models could be helpful in analysing the structural features of Bradykinin receptor B2 and in pathophysiology of various disorders related to them.

Three Dimensional Structure Prediction of Neuromedin U Receptor 1 Using Homology Modelling

  • Nagarajan, Santhosh Kumar;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.10 no.1
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    • pp.7-13
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    • 2017
  • Neuromedin U receptor 1 is a GPCR protein which binds with the neuropeptide, neuromedin. It is involved in the regulation of feeding and energy homeostasis and related with immune mediated inflammatory diseases like asthma. It plays an important role in maintaining the biological clock and in the regulation of smooth muscle contraction in the gastrointestinal and genitourinary tract. Analysing the structural features of the receptor is crucial in studying the pathophysiology of the diseases related to the receptor important. As the three dimensional structure of the protein is not available, in this study, we have performed the homology modelling of the receptor using 5 different templates. The models were subjected to model validation and two models were selected as optimal. These models could be helpful in analysing the structural features of neuromedin U receptor 1 and their role in disorders related to them.

Theoretical Protein Structure Prediction of Glucagon-like Peptide 2 Receptor Using Homology Modelling

  • Nagarajan, Santhosh Kumar;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.10 no.3
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    • pp.119-124
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    • 2017
  • Glucagon-like peptide 2 receptor, a GPCR, binds with the glucagon-like peptide, GLP-2 and regulates various metabolic functions in the gastrointestinal tract. It plays an important role in the nutrient homeostasis related to nutrient assimilation by regulating mucosal epithelium. GLP-2 receptor affects the cellular response to external injury, by controlling the intestinal crypt cell proliferation. As they are therapeutically attractive towards diseases related with the gastrointestinal tract, it becomes essential to analyse their structural features to study the pathophysiology of the diseases. As the three dimensional structure of the protein is not available, in this study, we have performed the homology modelling of the receptor based on single- and multiple template modeling. The models were subjected to model validation and a reliable model based on the validation statistics was identified. The predicted model could be useful in studying the structural features of GLP-2 receptor and their role in various diseases related to them.

Three-Dimensional Structure Prediction of Follicle-Stimulating Hormone Receptor Transmembrane Domain by Homology Modelling

  • Priya dharshini B
    • Journal of Integrative Natural Science
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    • v.16 no.1
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    • pp.33-38
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    • 2023
  • The follicle stimulating hormone receptor (FSHR) is a glycoprotein hormone, that belongs to the GPCR superfamily. FSHR plays a major role in reproduction. The aberrant activation of FHS receptor leads to infertility and several reproductive disorders. The recently recognized roles of the FSHR in diverse extragonadal tissues is also closely related to Alzheimer's disease and cancers. Analysing the structural characteristics of the receptor is important in understanding the pathophysiology of diseases associated with the receptor. In this present study, homology modelling of FSHR-TM domain was developed using four different templates. Totally 20 models were developed using single template-based approach and selected three based on the validation of RC plot, RMSD, ProSA, QMEAN and ERRAT values. The developed models would be useful for further research on the structural characteristics and binding characteristics of the FSHR-TM domain.

In silico characterisation, homology modelling and structure-based functional annotation of blunt snout bream (Megalobrama amblycephala) Hsp70 and Hsc70 proteins

  • Tran, Ngoc Tuan;Jakovlic, Ivan;Wang, Wei-Min
    • Journal of Animal Science and Technology
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    • v.57 no.12
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    • pp.44.1-44.9
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    • 2015
  • Background: Heat shock proteins play an important role in protection from stress stimuli and metabolic insults in almost all organisms. Methods: In this study, computational tools were used to deeply analyse the physicochemical characteristics and, using homology modelling, reliably predict the tertiary structure of the blunt snout bream (Ma-) Hsp70 and Hsc70 proteins. Derived three-dimensional models were then used to predict the function of the proteins. Results: Previously published predictions regarding the protein length, molecular weight, theoretical isoelectric point and total number of positive and negative residues were corroborated. Among the new findings are: the extinction coefficient (33725/33350 and 35090/34840 - Ma-Hsp70/ Ma-Hsc70, respectively), instability index (33.68/35.56 - both stable), aliphatic index (83.44/80.23 - both very stable), half-life estimates (both relatively stable), grand average of hydropathicity (-0.431/-0.473 - both hydrophilic) and amino acid composition (alanine-lysine-glycine/glycine-lysine-aspartic acid were the most abundant, no disulphide bonds, the N-terminal of both proteins was methionine). Homology modelling was performed by SWISS-MODEL program and the proposed model was evaluated as highly reliable based on PROCHECK's Ramachandran plot, ERRAT, PROVE, Verify 3D, ProQ and ProSA analyses. Conclusions: The research revealed a high structural similarity to Hsp70 and Hsc70 proteins from several taxonomically distant animal species, corroborating a remarkably high level of evolutionary conservation among the members of this protein family. Functional annotation based on structural similarity provides a reliable additional indirect evidence for a high level of functional conservation of these two genes/proteins in blunt snout bream, but it is not sensitive enough to functionally distinguish the two isoforms.

Structural Dynamic Optimization of Diesel Generator systems Using Genetic Algorithm(GA) (유전자 알고리즘을 이용한 선박용 디젤발전기 시스템의 동특성 해석 및 최적화)

  • 이영우;성활경
    • Journal of Advanced Marine Engineering and Technology
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    • v.24 no.3
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    • pp.99-105
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    • 2000
  • For multi-body dynamic problems. especially coalescent eigenvalue problems with multiobjective optimization, the design sensitivity analysis is too much complicated mathematically and numerically. Therefore, this article proposes a new technique for structural dynamic modification using a mode modification and homologous structures design method with Genetic Algorithm(GA). In this work, the homologous structure of the resiliently mounted multi-body for marine diesel generator systems is studied and the problem is treated as a combinational optimization problem using the GA. In GA formulation, fitness is defined based on penalty function approach. That include homology, allowable stress and minimum weight of common plate.

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