• Title/Summary/Keyword: Site Constants

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Chemical Modification of Serratia marcescens Catabolic ${\alpha}-Acetolactate$ Synthase

  • Joo, Han-Seung;Kim, Soung-Soo
    • BMB Reports
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    • v.31 no.2
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    • pp.139-143
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    • 1998
  • The catabolic ${\alpha}-acetolactate$ synthase purified from Serratia marcescens ATCC 25419 was rapidly inactivated by the tryptophane-specific reagent, N -bromosuccinimide, and the arginine-specific reagent, phenylglyoxal. The enzyme was inactivated slowly by the cysteine-specific reagent N-ethylmaleimide. The second-order rate constants for the inactivation by N-bromosuccinimide, phenylglyoxal. and N -ethylmaleimide were $114,749M^{-1}min^{-1}$, $304.3M^{-1}min^{-1}$, and $5.1M^{-1}min^{-1}$, respectively. The reaction order with respect to N-bromosuccinimide, phenylglyoxal, and N-ethylmaleimide were 1.5,0.71, and 0.86, respectively. The inactivation of the catabolic aacetolactate synthase by these modifying reagents was protected by pyruvate. These results suggest that essential tryptophane, arginine, and cysteine residues are located at or near the active site of the catabolic ${\alpha}-acetolactate$ synthase.

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The Role of Lys-228 Residue in Horse Liver Alcohol Dehy-drogenase Activity

  • Cho, Sun-Hyoung;Ryu, Ji-Won;Lee, Kang-Man
    • Archives of Pharmacal Research
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    • v.18 no.2
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    • pp.100-104
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    • 1995
  • Lys-228 in horse liver alcohol dehydrogenase isoenzyme E(HLADH-E) was mutated to glycineby site-directed mutagenesis. The specific activity of the mutant enzyme was increased about 4-fold nad Michaelis constants for $NAD^+(K_a){\;}and{\;}NADH(K_q)$ increased by about 350-and 50-fold, respectively. The wild-type enzyme and K228TG mutant enzyme were treated with ethylacetimidate. Acetimidylation of the wild-type enzyme increased the activity about 10-fold, but the mutant enzyme ws little affected. These results confirm that Lys-228 residue plays an important role in the activity of the enzyme through forming the hydrogen bond with adenosine ribose of $NAD^+$.

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Molecular Dynamics Simulation Studies of Benzene, Toluene, and p-Xylene in NpT Ensemble: Thermodynamic, Structural, and Dynamic Properties

  • Kim, Ja-Hun;Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • v.23 no.3
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    • pp.447-453
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    • 2002
  • In this paper we have presented the results of thermodynamic, structural, and dynamic properties of model systems for liquid benzene, toluene and p-xylene in an isobaric-isothermal (NpT) ensemble at 283.15, 303.15, 323.15, and 343.15 K using molecular dynamics (MD) simulation. This work is initiated to compensate for our previous canonical (NVT) ensemble MD simulations [Bull. Kor. Chem. Soc. 2001, 23, 441] for the same systems in which the calculated pressures were too low. The calculated pressures in the NpT ensemble MD simulations are close to 1 atm and the volume of each system increases with increasing temperature. The first and second peaks in the center of mass g(r) diminish gradually and the minima increase as usual for the three liquids as the temperature increases. The three peaks of the site-site gC-C(r) at 283.15 K support the perpendicular structure of nearest neighbors in liquid benzene. Two self-diffusion coefficients of liquid benzene via the Einstein equation and via the Green-Kubo relation are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene and p-xylene are in accord with the trend that the self-diffusion coefficient decreases with increasing number of methyl group. The friction constants calculated from the force auto-correlation (FAC) function with the assumption that the fast random force correlation ends at time which the FAC has the first negative value give a correct qualitative trends: decrease with increase of temperature and increase with the number of methyl group. The friction constants calculated from the FAC's are always less than those obtained from the friction-diffusion relation which reflects that the random FAC decays slower than the total FAC as described by Kubo [Rep. Prog. Phys. 1966, 29, 255].

Synthesis of Heptadentate Nitrogen-Oxygen Ligands (N4O3) with Substituting Groups and Determination of Stability Constants of Their Transition Metal(II) Complexes (치환기를 가진 일곱 자리 질소-산소(N4O3)계 리간드 합성과 전이금속(II) 이온 착물의 안정도상수 결정)

  • Kim, Sun-Deuk;Lee, Do-Hyub;Seol, Jong-Min
    • Journal of the Korean Chemical Society
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    • v.54 no.5
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    • pp.541-550
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    • 2010
  • A new $N_4O_3$ heptadentate ligand, N,N'-Bis(2-hydroxybenzyl)-1,3-bis[(2-aminoethyl)amino]-2-propanol(H-BAP 4HCl)was synthesized. The hydrochloric acid salts of Br-BAP 4HCl, Cl-BAP 4HCl, $CH_3O$-BAP 4HCl and $CH_3$-BAP 4HCl containing Br-, Cl-, H-, $CH_3O-$ and $CH_{3^-}$ groups at the para-site of the phenol group of the H-BAP were synthesized. The structures of the ligands were confirmed by C. H. N. atomic analysis and $^1H$ NMR, $^{13}C$ NMR, UV-visible and mass spectra. The elemental stepwise protonation constants(${logK_n}^H$) of the synthesized $N_4O_3$ ligands showed six steps of the proton dissociation. The orders of the overall dissociation constants($log{\beta}_p$) of the ligands were Br-BAP < Cl-BAP < H-BAP < $CH_3O$-BAP < $CH_3$-BAP. The orders agreed well with that of Hammett substituent constants($\sigma_p$). The calculated stability constants($logK_{ML}$) between the ligands and transition metal ions agreed well with the order of the overall proton dissociation constants of the ligands but they showed a reverse order in Hammestt substituent constants($\sigma_p$). The order of the stability constants between the transition metal ions with the ligands were Co(II) < Ni(II) < Cu(II) > Zn(II) > Cd(II) > Pb(II).

Dibucaine Inhibition of Serum Cholinesterase

  • Elamin, Babiker
    • BMB Reports
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    • v.36 no.2
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    • pp.149-153
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    • 2003
  • The dibucaine number (DN) was determined for serum cholinesterase (EC 3.1.1.8, SChE) in plasma samples. The ones with a DN of 79-82 were used, because they had the "usual" SChE variant. The enzyme was assayed colorimetrically by the reaction of 5,5'-dithiobis-[2-nitrobenzoic acid] (DTNB) with the free sulfhydryl groups of thiocholine that were produced by the enzyme reaction with butrylthiocholine (BuTch) or acetylthiocholine (AcTch) substrates, and measured at 412 nm. Dibucaine, a quaternary ammonium compound, inhibited SChE to a minimum within 2 min in a reversible manner. The inhibition was very potent. It had an $IC_{50}$ of $5.3\;{\mu}M$ with BuTch or $3.8\;{\mu}M$ with AcTch. The inhibition was competitive with respect to BuTch with a $K_i$ of $1.3\;{\mu}M$ and a linear-mixed type (competitive/noncompetitive) with respect to AcTch with inhibition constants, $K_i$ and $K_I$ of 0.66 and $2.5\;{\mu}M$, respectively. Dibucaine possesses a butoxy side chain that is similar to the butryl group of BuTch and longer by an ethylene group from AcTch. This may account for the difference in inhibition behavior. It may also suggest the existence of an additional binding site, other than the anionic binding site, and of a hydrophobic nature.

Synthesis of Cyclic Peticdes Related to GBⅠ-Ⅱand Study of Their Inhibitory Activity for Proteinases (GBⅠ-Ⅱ 와 관련된 Cyclic Peptide 들의 합성과 단백질 분해 효소에 대한 저해활성 연구)

  • Gang, Sin Won;Heo, Nam Won
    • Journal of the Korean Chemical Society
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    • v.34 no.3
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    • pp.288-296
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    • 1990
  • Antielastic fragment in GBⅠ-Ⅱ differ on $P_1$ site with that of antitryptic fragment in LBI. To obtain further understanding of the role of amino acid residue near the reactive site, specificity of $P_1$ site and loop size, Tyr substituted cyclic nonapeptide and cyclic pentapeptide were synthesized and the inhibition constants for some proteinases were calculated by Dixon method. Cyclic nonapeptide showed no inhibition for chymotrypsin but appeared low inhibitory activity for trypsin and elastase and that of cyclic pentapeptide possessed inhibitory activity for chymotrypsin.

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A Study on Revising Construction Cost Calculation for Road Paving Maintenance Work (도로포장 유지보수 공사비산정기준 개정에 대한 연구)

  • Oh, Jae-Hoon;An, Bang-Yul
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2020.06a
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    • pp.155-156
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    • 2020
  • Unlike new construction projects, road paving maintenance work shows large productivity discrepancies depending on the conditions of the worksite. The current construction cost calculation scheme, however, only provides daily construction volume categorized by work scope and scale: There are no detailed standards that can be implemented on various types of worksites. To develop standards that enable the calculation of appropriate construction costs by taking into account worksite conditions, the current study conducted on-site surveys and interviews. The on-site research and analysis revealed that location, construction width, the day's worksite lot, work scope, and construction objectives were found to cause differences in construction volume. In addition to the existing work scope and work scape variables, the current study added weight constants reflecting the daily work volume based on movement conditions at site and the size of the worksite lot. In this process, the current study found that even one type of construction project can have fifteen different levels of daily construction volume. Such detailed classification was deemed to enable the proper calculation of construction costs based on worksite conditions.

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Drug-Biomacromolecule Interaction XII: Comparative binding study of sulfaethidole to bovine serum albumin by equilibrium dialysis, fluorescence probe technique, uv difference spectrophotometry and circular dichroism

  • Kim, Chong-Kook;Chun, Yang-Sook;Lah, Woon-Lyong
    • Archives of Pharmacal Research
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    • v.12 no.3
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    • pp.160-165
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    • 1989
  • Binding of sulfaethidole to bovine serum albumin was studied by equilibrium dialysis, fluorescence probe technique, uv difference spectrophotometry and circular dichroism. Equilibrium dialysis method enabled us to estimate the total number of drug binding sites of albumin molecule. For sulfaethidole, albumin had 6 primary and 40 secondary binding sites. The primary and secondary binding constants were 0.9 * 10/sup 5/ M/sup -1/ and 0.2 * 10/sup 6/ M/sup -1/, respectivitely. 1-Anilino-8-naphthalenesulfonate (ANS) and 2-(4-hydroxylbenzeneazo)- benzoic acid (HBAB) were used as the fluorescence probe and the uv spectrophotometric probe, respectively. In fluorescence probe technique, results indicated that the number of higher affinity drug binding site of albumin was 1 and the number of lower affinity drug binding sites of albumin was 3, and the primary and secondary drug binding constants for bovine serum albumin were 2.15 * 10/sup 5/M/sup -1/ and 1.04 * 10/sup 5/ M/sup -1/, respectively. In uv difference spectrophotometry, binding sites were 3 and binding constant was 1.88 * 10/sup 5/M/sup -1/. The above spectrophotometry, binding sites were 3 and binding constant was 1.88 * 10/sup 5/M/sup -1/. The above results suggest that several different methods should be used in ompensation for insufficient information about drug binding to albumin molecule given by only one method.

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Application of geophysical well logging to fracture identification and determination of in-situ dynamic elastic constants. (물리검층에 의한 파쇄대 인식과 동적 지반정수의 산출)

  • Hwang, Se-Ho;Lee, Sang-Kyu
    • 한국지구물리탐사학회:학술대회논문집
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    • 1999.08a
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    • pp.156-175
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    • 1999
  • Recently the application of geophysical well logging to geotechnical site investigation is increasing, because the merit that geophysical logs provide the high resolution and in-situ physical properties in volumes of rock surrounding the borehole. Geophysical well logs are used to identify lithologic boundaries and fracture, to determine the physical properties of rock(i.e., density, velocity etc.), and to detect permeable fracture zones that could be conduits for ground water movement through the rocks. The principle of heat-pulse meter, the calibration of gamma-gamma logging, and principles and data processing of full waveform sonic logging are briefly reviewed, and the case studies of geophysical logs are discussed. Correlation between velocity by sonic logging and rock mass classification such as RMR(Rock Mass Rating) value is considered.

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Sorption of Np(IV) on MX-80 in Ca-Na-Cl Type Reference Water of Crystalline Rock

  • Nagasaki, Shinya
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.19 no.1
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    • pp.1-7
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    • 2021
  • The pH dependence of sorption distribution coefficient (Kd) of Np(IV) on MX-80 in Ca-Na-Cl type solution with the ionic strength of 0.3 M, which was similar to one of the reference groundwaters in crystalline rock, was experimentally investigated under the reducing conditions. The overall trend of Kd on MX-80 was independent of pH at 5 ≤ pH ≤ 10 but increased as pH increased at pH ≤ 5. The 2-site protolysis non-electrostatic surface complexation and cation exchange model was applied to the experimentally measured pH dependence of Kd and the optimized surface complexation constants of Np(IV) sorption on MX-80 were estimated. The values of surface complexation constants in this work agreed relatively well with those in the Na-Ca-Cl solution previously evaluated, suggesting that compared to Na+, the competition of Ca2+ with Np(IV) for surface complexation on MX-80 was not much strong in Ca-Na-Cl solution. The sorption model well predicted the pH dependence of Kd values but slightly overestimated the sorption at the low pH region.