• 제목/요약/키워드: Tertiary structure

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Probing the movement of helix F region and the stepwise insertion of reactive site loop in $\alpha_1$-Antitrypsin variants

  • Baek, Je-Hyun;Lee, Cheolju;Kang, Un-Beom;Kim, Joon;Yu, Myeong-Hee
    • 한국생물물리학회:학술대회논문집
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    • 한국생물물리학회 2003년도 정기총회 및 학술발표회
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    • pp.63-63
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    • 2003
  • $\alpha$$_1$-Antityrpsin is a member of the serine protease inhibitor (SERPIN) family that shares a common tertiary structure. The reactive site loop (RSL) of serpins is exposed at one end of the molecule for protease binding. Upon cleavage by a target protease, the RSL is inserted into the major $\beta$-sheet A, which is a necessary process for formation of a tight inhibitory complex. Various biochemical and structural studies suggest that the rate of the RSL insertion upon binding a target protease is critical for inhibitory activity, and it is thought that helix F region (thFs3A and helix F) located in front of $\beta$-sheet A, should be lifted for the loop insertion during complex formation.

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Recombinant Expression, Isotope Labeling, and Purification of Cold shock Protein from Colwellia psychrerythraea for NMR Study

  • Moon, Chang-Hun;Jeong, Ki-Woong;Kim, Hak-Jun;Heo, Yong-Seok;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • 제30권11호
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    • pp.2647-2650
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    • 2009
  • Cold shock proteins (Csps) are a subgroup of the cold-induced proteins on reduction of the growth temperature below the physiological temperature. They preferentially bind to single-stranded nucleic acids to translational regulation via RNA chaperoning. Csp plays important role in cold adaptations for the psychrophilic microorganism. Recently, Cold shock protein from psychrophilic bacteria, Colwellia psychrerythraea (CpCsp) has been identified. Three dimensional structures of a number of Csps from various microorganisms have been solved by NMR spectroscopy or X-ray crystallography, but structures of psychrophilic Csps were not studied yet. Therefore, cloning and purification protocols for further structural study of psychrophilic Csp have been optimized in this study. CpCsp was expressed in E. coli with pET-11a vector system and purified by ion exchange, size exclusion, and reverse phase chromatography. Expression and purification of CpCsp in M9 minimal media was carried out and $^{15}N$-labeled proteins with high purity over 90% was obtained. Further study will be carried out to investigate the tertiary structure and dynamics of CpCsp.

동결주조 다공질 뮬라이트 세라믹스의 제조와 석탄회의 재활용 (Freeze Cast Porous Mullite Ceramics and Recycling of Coal Fly Ash)

  • 김규헌;윤석영;박홍채
    • 한국재료학회지
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    • 제26권2호
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    • pp.61-66
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    • 2016
  • In order to fabricate porous mullite ceramics with controlled pore structure and improved mechanical strength, a freeze casting route has been processed using camphene mixed with tertiary-butyl alcohol (TBA) and coal fly ash/alumina as the solvent and the ceramic material, respectively. After sintering, the solidification characteristics of camphene and TBA solvent were evident in the pore morphology, i.e., dendritic and straight pore channels formed along the solidification directions of camphene and TBA ice, respectively, after sublimation. Also, the presence of microcracks was observed in the bodies sintered at $1500^{\circ}C$, mainly due to the difference in solidification volume change between camphene and TBA. The compressive strength of the sintered bodies was found generally to be dependent, in an inverse manner, on the porosity, which was mainly determined by the processing conditions. After sintering at $1300{\sim}1500^{\circ}C$ with 30~50 wt% solid loading, the resulting mullite ceramics showed porosity and compressive strength values in ranges of 83.8~43.1% and 3.7~206.8 MPa, respectively.

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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    • 제57권12호
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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.

병원전문화 전략유형의 적합성과 조직성과 분석 (The Fitness and Organizational performance Analysis of Hospital Specialization Strategy Types)

  • 김한성;김영훈;우정식;이해종;윤병준;한휘종;최영진
    • 한국병원경영학회지
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    • 제17권4호
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    • pp.87-115
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    • 2012
  • This research classified hospital specialization strategy types through cluster analysis, analyzed fitness of hospital specialization strategy types for external environment or organizational structure, and examined relation between hospital specialization strategy types and organizational performance. This research surveyed 1,437 hospitals which have more than 30 patient's bed and practice national health service in Korea. Specifically, this research divided into two part : external fit - analysis of relation between external environment and specialization strategy, internal fit-analysis of relation between organizational structure factors and specialization strategy. also, as the organizational performance for achieving specialization strategic purpose, not only the productivity, efficiency, profit but also the medical quality was considered. In case of external fit, many hospitals chose integration type if there are a lot of competitive hospitals and regional population. Particularly, if there are many competitive hospitals, concentration type is chosen. In contrast, if there are many doctors in the region, differentiation type is chosen. In case of internal fit, according to organization type and patient's bed number, hospitals chose different types. If it is a general hospital and has a few bed number, generalization or concentration type is chosen. Tertiary hospital or the hospital with many patient's bed chose differentiation type. According to the number of specialists, if there are a few specialists, generalization or concentration type is chosen. If there are many specialists, differentiation type has high fitness for the hospital. In relation to strategy types and organizational performance, differentiation type has best result. Differentiation type has a good result in 7 items out of 11.

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남해 제주분지 해역의 퇴적환경 및 지질구조 예비 해석 (PRELIMINARY INTERPRETATION OF DEPOSITIONAL ENVIRONMENT AND GEOLOGICAL STRUCTURE OF THE JEJU BASIN IN THE SOUTH SEA OF KOREA)

  • 허식;최동림;유해수;민동주;홍종국;이광자
    • 지구물리
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    • 제7권3호
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    • pp.225-232
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    • 2004
  • 남해 제주분지 해역의 퇴적층서 발달 양상과 지질구조를 밝히기 위하여 1,980 line-km의 54 채널 탄성파 자료를 취득하였다 연구지역의 퇴적분지는 제 3기 후열도 분지인 동중국해 북동 해역에 위치하고 있으며 열개작용에 의해 지구 또는 반지구 구조를 형성하였다 연구지역내 퇴적층의 구조는 열개분지내에 쌓인 열개 이전과 열개와 동시에 쌓인 퇴적층 그리고 광역 부정합면을 경계로 후열개 퇴적층으로 크게 구분된다 이 개의 퇴적층은 하부에서 상부로 가면서 열개 이전에 쌓인 올리고세 층서 열개와 동시에 쌓인 초기 및 중기 마이오세 층서로 구성된다 반면에 후열개 퇴적층은 후기 마이오세와 플라이오세 플라이스토세 층서로 구성된다 제주분지 주변의 탄성파 및 시추자료에 의하면 올리고세 마이오세 퇴적층은 충적층 또는 호수 환경에서 퇴적되었음을 보여준다 후기 마이오세에 일어 난 역전의 지구조 활동 및 이에 연관된 상부층의 침식작용 이후 제주분지는 플라이오세에 분지가 침강하기 시작하였으며 결과적으로 천해 해양 환경하에서 퇴적층을 형성하게 되었다.

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A PHOTOMETRIC STUDY OF THE CONTACT BINARY XZ LEONIS

  • Lee Jae-Woo;Lee Chung-Uk;Kim Chun-Hwey;Kang Young-Woon
    • 천문학회지
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    • 제39권2호
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    • pp.41-50
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    • 2006
  • We present the results of new multi-color CCD photometry for the contact binary XZ Leo, together with reasonable explanations for the period and light variations. Six new times of minimum light have been determined. A period study with all available timings confirms Qian's (2001) finding that the O-C residuals have varied secularly according to $dP/dt\;=\;+8.20{\times}10^{-8}\;d\;yr^{-l}$. This trend could be interpreted as a conservative mass transfer from the less massive cool secondary to the more massive hot primary in the system with a mass flow rate of about $5.37{\times}10^{-8}\;M_{\odot}\;yr^{-l}$. By simultaneous analysis of our light curves and the previously published radial-velocity data, a consistent set of light and velocity parameters for XZ Leo is obtained. The small differences between the observed and theoretical light curves are modelled by a blue third light and by a hot spot near the neck of the primary component. Our period study does not support the tertiary light but the hot region which may be formed by gas streams from the cool secondary. The solution indicates that XZ Leo is a deep contact binary with the values of q=0.343, $i=78^{\circ}.8$, ${\Delta}(T_1-T_2)=126\;K$, and f=33.6 %, differing much from those of Niarchos et al. (1994). Absolute parameters of XZ Leo are determined as follows: $M_1=1.84\;M_{\odot},\;M_2=0.63\;M_{\odot},\;R_1=1.75\;R_{\odot},\;R_2=1.10\;R_{\odot},\;L_1=7.19\;L_{\odot},\;and\;L_2=2.66\;L_{\odot}$.

Synthesis and Characterization of New Polyaza Macrocyclic Nickel(Ⅱ) and Copper(Ⅱ) Complexes Two Nitrile or Imidate Ester Pendant Arms: Metal-Mediated Hydrolysis and Alcoholysis of the Nitrile Groups

  • Kang, Shin-Geol;Song, Jeong-Hoon;Jeong, Jong-Hwa
    • Bulletin of the Korean Chemical Society
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    • 제23권6호
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    • pp.824-829
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    • 2002
  • New di-N-cyanomethylated tetraaza macrocycle 2.13-bis(cyanomethyl)-5.16-dimethyl-2,6,13,17-tetraazatricyclo[$16.4.0.0^7.12$]docosane $(L^2)$ has been prepared by the reaction of 3, 14-dimethyl-2,6,13,17-tetraazatricyclo $(L^1)$ with bromoacetonitrile. The square-planar complexes $[ML^2](ClO_4)_2(M=Ni(II)$ or Cu(II) can be prepared by the reaction of $L^2$ with the corresponding metal ion in acetonitrile. The cyanomethyl groups of $[ML^2](ClO_4)_2readily$ react with water to $yield[ML^3](ClO_4)_2$ containing pendant amide groups. The trans-octahedral complexes $[ML^4](ClO_4)_2$, in which two imidate ester groups are coordinated to the metal ion, can be also prepared by the reaction of $[ML^2](ClO_4)_2with$ methanol under mild conditions. The hydrolysis and alcoholysis reactions of $[ML^2](ClO_4)_2are$ promoted by the central metal ion, in spite of the fact that the cyanomethyl group is not involved in intramolecular coordination. The reactions are also promoted by a base such as triethylamine but are retarded by an $acid(HClO_4).Interestingly$, the imidate ester groups of $[ML^4]^2$ are unusually resistant to hydrolysis even in 0.1 M $HCIO_4$ or 0.1 M NaOH aqueous solution. Crystal structure of $[NiL^4](ClO_4)_2shows$ that the Ni-N (pendant imidate ester group) bond is rlatively strong; the Ni-N bond distance is shorter then the Ni-N(tertiary) distance and is similar to the Ni-N (secondary) distance.

Xanthomonas palargonii 5S rRNA의 고차원 구조 (Higher Order Structure of 5S rRNA from Xanthomonas palargonii)

  • 조봉래;김상범;이영훈;박인원
    • 대한화학회지
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    • 제39권9호
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    • pp.734-740
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    • 1995
  • Xanthomonas palargonii 5S rRNA의 일차구조 및 이차구조를 결정하고 에틸니트로소 우레아, Pb2+, 황산 이메틸 , 피로탄산 이에틸 들의 화학 탐침과 몇 가지 효소 탐침을 사용하여 고차원 구조를 분석하였다. 에틸니트로소 우레아는 삼차 상호작용에 관련되는 포스포디에스테르 결합을 조사하는데 사용되었다. Mg2+이 있을 때 에틸니트로소 우레아에 의한 변형에 대해서 저항성이 있는 자리는 불안정한 d 나선의 Nucleotides G72, A73, G75, A78, G98, G100, A101 들, c고리의 C36, C37, C39, C41들, 그리고 C 줄기의 A29, G33 들이다.이러한 결과와 Pb2+에 의한 가수분해 반응과 화학 탐침과 효소 탐침을 사용하여 얻은 결과들을 종합해 봄으로써 5S 의 b-C 구역과 d 나선 구역은 5S rRNA의 삼차 상호작용에서 돌쩌귀의 구실을 할 것으로 추정할 수 있었다.

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Identification of Suitable Natural Inhibitor against Influenza A (H1N1) Neuraminidase Protein by Molecular Docking

  • Sahoo, Maheswata;Jena, Lingaraja;Rath, Surya Narayan;Kumar, Satish
    • Genomics & Informatics
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    • 제14권3호
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    • pp.96-103
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    • 2016
  • The influenza A (H1N1) virus, also known as swine flu is a leading cause of morbidity and mortality since 2009. There is a need to explore novel anti-viral drugs for overcoming the epidemics. Traditionally, different plant extracts of garlic, ginger, kalmegh, ajwain, green tea, turmeric, menthe, tulsi, etc. have been used as hopeful source of prevention and treatment of human influenza. The H1N1 virus contains an important glycoprotein, known as neuraminidase (NA) that is mainly responsible for initiation of viral infection and is essential for the life cycle of H1N1. It is responsible for sialic acid cleavage from glycans of the infected cell. We employed amino acid sequence of H1N1 NA to predict the tertiary structure using Phyre2 server and validated using ProCheck, ProSA, ProQ, and ERRAT server. Further, the modelled structure was docked with thirteen natural compounds of plant origin using AutoDock4.2. Most of the natural compounds showed effective inhibitory activity against H1N1 NA in binding condition. This study also highlights interaction of these natural inhibitors with amino residues of NA protein. Furthermore, among 13 natural compounds, theaflavin, found in green tea, was observed to inhibit H1N1 NA proteins strongly supported by lowest docking energy. Hence, it may be of interest to consider theaflavin for further in vitro and in vivo evaluation.