• 한국자기공명학회논문지
• /
• 제1권2호
• /
• pp.79-94
• /
• 1997

The solution structure of bovine pancreatic trypsin inhibitor(BPTI) has been refined by NMR chemical shift data of C${\alpha}$H using classical molecular dynamics simulation. The structure dependent part of the observable chemical shift was modeled by ring current effect, magnetic anisotropy effect from the nearby groups, whereas the structure independent part was replaced with the random coil shift. A new harmonic function derived from the differences between the observed and calculated chemical shifts was added into physical force field as an pseudo potential energy term with force constant of 250 kJmol-1 ppm-2. During the 1.5 ns molecular dynamics simulation with chemical shift restraints BPTI has accessed different conformation space compared to crystal and NOE driven structure.

• 한국자기공명학회논문지
• /
• 제1권2호
• /
• pp.63-70
• /
• 1997

The conformation of the self-complementary decamer duplex, d(ACGTATACGT)2 (TATA-duplex) has been studied by proton NMR spectroscopy. The duplex is essentially B-type, with distortions apparent at the TATA steps. These conformational distortion which may be preferable to occur in the thymine residue on the 5'-side, has been investigated by unusual NOE crosspeaks.

• 한국자기공명학회논문지
• /
• 제11권1호
• /
• pp.48-55
• /
• 2007

NMR signals of two hemes were assigned to particular hemes in the crystal structures by nuclear Overhauser effect experiments. The results showed that the hemes with the highest and lowest redox potentials in the one-electron reduction process correspond to the hemes I and IV in the crystal structure.

• 한국자기공명학회논문지
• /
• 제21권1호
• /
• pp.26-30
• /
• 2017

Dynamic properties of proteins can present key information on protein-ligand and protein-protein interaction. Despite their usefulness, the properties of protein dynamics have not been obtained easily due to protein stability and short-term measurement. Here, it is shown that combined method for analysis of dynamical properties. It utilizes predicted order parameter and NMR relaxation data such as $T_1$, $T_2$, and heteronuclear NOE. The suggested method could be used to know the flexibility of protein roughly without precise dynamical parameters such as order parameters through model-free analysis.

• 한국자기공명학회논문지
• /
• 제22권1호
• /
• pp.18-25
• /
• 2018

Replication protein A (RPA) is an essential single-stranded DNA binding protein in DNA processing. It is known that N terminal domain of RPA70 (RPA70N) recruits various protein partners including damage-response proteins such as p53, ATRIP, Rad9, and MRE11. Although the common binding residues of RPA70N were revealed, dynamic properties of the protein are not studied yet. In this study, we measured $^{15}N$ relaxation parameters ($T_1,\;T_2$ and heteronuclear NOE) of human RPA70N and analyzed them using model-free analysis. Our data showed that the two loops near the binding site experience fast time scale motion while the binding site does not. It suggests that the protein binding surface of RPA70N is mostly rigid for minimizing entropy cost of binding and the loops can experience conformational changes.

• 한국자기공명학회논문지
• /
• 제15권2호
• /
• pp.157-174
• /
• 2011

Although the use of apodization functions in connection with postprocessing of a 2D NMR spectrum proves improved spectral quality, there is usually a trade-off between resolution enhancement and noise suppression due to a classical "uncertainty principle." In this study, therefore, a mathematical deconvolution technique called "Maximum Likelihood Deconvolution (MLD)" was adopted to achieve the spectral resolution and sensitivity enhancement simultaneously. The MLD technique greatly facilitates visualization and restoration of the genuine spectral information from complex 2D NMR spectra that would be problematic with the conventional apodization/FT processing. In particular, application of the MLD to the 2D-NOE spectrum would be very useful to derive the important proton connectivities, which are essential to achieve elucidating the 3D molecular structure.

• 한국자기공명학회논문지
• /
• 제24권2호
• /
• pp.38-42
• /
• 2020

WW domains are small protein modules consisting of three-stranded antiparallel β-sheet, and involved in the protein-protein interaction for various biological systems. We overexpressed and purified WW2 domain from human AIP4/Itch (a member of Nedd4 family) using a pH/temperature dependent cleavage system. The backbone assignments of WW2 domain were completed, and secondary structure was predicted. Furthermore, backbone flexibility of WW2 domain was determined by ¹H-¹⁵N heteronuclear NOE and amide hydrogen exchange experiments. The structural information would contribute to the structural determination of WW2 domain as well as the interaction study of WW2 domain with various binding partners.

• 한국콘크리트학회:학술대회논문집
• /
• 한국콘크리트학회 2005년도 추계 학술발표회 제17권2호
• /
• pp.631-634
• /
• 2005

This paper discussed the influence of addition of aqueous additives such as various beverage and detergent on the properties of concrete during placement by workmen's mistake. Slump and air content were not highly affected by the addition of aqueous additives, while addition of detergent led to an remarkable increase in air content due to interfacial activated ingredient in detergent. For setting time, lactic-acid fermented milk exhibited a longest setting delay and in order of coffee and soda. Concrete containing setting retarding beverage had higher compressive strength than control concrete at 7 and 28days. Concrete containing detergent exhibited strength loss due to the presence of larger amount of air content.

• Biomolecules & Therapeutics
• /
• 제2권1호
• /
• pp.28-33
• /
• 1994

In order to obtain insight into the repair mechanism of DNA containing thymine photo-dimer, the conformation of the duplex d(GCGGTTGGCG).d(CGCCAACCGC) with a thymine dimer incorporated has been studied by proton NMR. NOE data show that, although the local environment around the thymine dimer is altered, the gross structural changes are relatively small. T$_4$endonuclease V exhibited a conformational change on complex formation with DNA. This conformational change occurred around histidine 16 which was close to tyrosine 129 located in the aromatic segment (WYKYY) near the C-terminus. It is likely that the interaction between T$_4$endonuclease V and DNA is strong since the complex was not dissociated up to 1.6 M NaCl.

• 한국자기공명학회논문지
• /
• 제5권2호
• /
• pp.91-98
• /
• 2001

The $^1$H and $^{13}$ C NMR spectra of chivosazole F from Sorangium cellulosum were completely assigned by a combination of ID and 2D NMR techniques. The configurations of double bonds were confirmed from the ROESY spectra. The stereochemistry at asymmetric carboncenters was partially assigned on the basis of the results of NOE analysis.