Gene/Protein Disease Symptom Drug Enzyme Compound
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Query: UNIPROT:P50583 (asymmetrical)
 12,197 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

Variations in magnetic susceptibility at air-water interfaces can result in inhomogeneous broadening of the NMR line. By special asymmetrical imaging techniques, originally developed for lung imaging, images can be formed of only those molecules that experience this inhomogeneous broadening. The basic concepts and latest developments in inhomogeneous-broadening-imaging techniques are described. Potential industrial applications are also discussed.
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PMID:Potential industrial applications of inhomogeneous broadening imaging. 146 Oct 75

The syntheses and analyses of GSSG analogues with modified ionizable groups are described. Using the mixed anhydride method, three symmetrical and three asymmetrical peptide analogues were obtained in moderate overall yields. The products were analyzed by HPLC, 1H-NMR, thin-layer electrophoresis, and amino acid analysis. They were used to study enzyme:ligand interactions in glutathione reductase.
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PMID:Synthesis of glutathione analogues with modified ionizable groups for the study of enzyme:ligand interactions. 227 50

Complexes formed between Actinomycin D (ActD) and the tetranucleotides d(AGCT)2 and d(CGCG)2 were studied in detail by one and two-dimensional 1H and 31P NMR. The 31P two dimensional chemical exchange experiment, at room temperature on saturated complexes (1:1), showed unambiguously that the asymmetrical phenoxazone ring binds to the unique GC site under the two possible orientations in the d(AGCT)2 tetranucleotide but adopts a single orientation in the d(CGCG)2 tetranucleotide. For the d(CGCG)2:Act D saturated complex, complete assignments of all protons and phosphorus signals of the two-nucleotide strands, as well as of the two cyclic pentapeptide chains has allowed us to study in details the conformational features of the complex from NOE and coupling constants analysis. The tetranucleotide remains in a right-handed duplex, but the sugar puckers are modified for residues at the intercalation site. A uniform C2' endo pucker is observed for residues on the strand facing the quinoid side of the phenoxazone ring while a C2' endo-C3-endo equilibrium about 60% of C2' endo is proposed for the two residues on the strand facing the benzenoid side of the phenoxazone ring. In contrast to previous studies on ActD-DNA interactions, we have been able to measure the 3J phosphorus-proton coupling constants at the intercalation site but also adjacent to it, showing that 31P chemical shifts are not simply related to the backbone conformation. Molecular mechanics calculations, using empirical distances deduced from NOE effects as restrained distances during minimizations, led to a model differing mainly from those previously published by orientation of the N methyl groups of both N-Methyl-Valines.
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PMID:Reassessment of structural characteristics of the d(CGCG)2:actinomycin D complex from complete 1H and 31P NMR. 262 99

A hydrogen-bonded complex of diphenylhydantoin (DPH) and 9-ethyladenine (EtAd) crystallizes from 2,4-pentanedione with the asymmetrical unit consisting of two DPH molecules, one EtAd molecule, and one solvent molecule. The crystal structure was solved by direct methods and refined to a residual of R = 0.054. Structure determination reveals that one DPH hydrogen-bonds to EtAd in a Watson-Crick scheme while the second DPH N(3)--H bonds to EtAd N(3) to form a 2:1 DPH-EtAd complex. Comparisons are made with barbiturate-adenine complexes and with an earlier postulation of a 1:1 DPH-EtAd complex derived from NMR and IR data. The 2,4-pentanedione molecule adopts the keto-enol configuration with an asymmetrical intramolecular hydrogen bond.
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PMID:Hydrogen bonding interaction of diphenylhydantoin and 9-ethyladenine. 683 97

A unit cell in which three isomers are in an L configuration and one is in a D configuration is inherently asymmetrical. For LDLL mixtures of amino acids with identical chemical structures (apart from chirality), the inter- and intramolecular interactions observed from the 13C CP/MAS NMR spectra are even larger than those which have been observed with mixtures of diastereoisomers in the solid state. This occurs even though the chemical composition of these molecular clusters consists only of nearest neighbor enantiomers. Because D and L isomers have identical chemical shifts, changes in chemical shift and peak intensities of these asymmetrical solid mixtures cannot be unambiguously assigned to either the D or one of the L isomers. In LLDL mixtures of amino acids in which half is L isomers and the other half is DL isomers, the NMR spectra clearly depend upon which amino acid contains the D isomer. Any further structural interpretation of these molecular clusters is equivocal without assigning chemical shifts to the D isomer (or alternatively designated the R, [-] or [+] isomer). Both more rigorous mathematical analysis and new NMR experiments are required which link interactions at chiral centers with NMR spectra of LLDL mixtures in the solid state.
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PMID:13C CP/MAS of LDLL mixtures of amino acids. 781 39

This paper is devoted to a theory of the NMR signal behavior in biological tissues in the presence of static magnetic field inhomogeneities. We have developed an approach that analytically describes the NMR signal in the static dephasing regime where diffusion phenomena may be ignored. This approach has been applied to evaluate the NMR signal in the presence of a blood vessel network (with an application to functional imaging), bone marrow (for two specific trabecular structures, asymmetrical and columnar) and a ferrite contrast agent. All investigated systems have some common behavior. If the echo time TE is less than a known characteristic time tc for a given system, then the signal decays exponentially with an argument which depends quadratically on TE. This is equivalent to an R2* relaxation rate which is a linear function of TE. In the opposite case, when TE is greater than tc, the NMR signal follows a simple exponential decay and the relaxation rate does not depend on the echo time. For this time interval, R2* is a linear function of a) volume fraction sigma occupied by the field-creating objects, b) magnetic field Bo or just the objects' magnetic moment for ferrite particles, and c) susceptibility difference delta chi between the objects and the medium.
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PMID:Theory of NMR signal behavior in magnetically inhomogeneous tissues: the static dephasing regime. 786 97

The asymmetrical DNA duplex [5'd(AAGGGACTTTCC)].[5'-d(GGAAAGTCCCTT)] has been studied by one- and two-dimensional NMR techniques. The sequence is comprised of the actual 10 base-pair long binding site for the transcription factor NF-kappa B in the enhancer sequence of the long term repeat (LTR) region of HIV and SIV types of retroviruses associated with the AIDS syndrome. Two additional A.T base-pairs are also included on one end for an added interest in the 12-bp duplex sequence with a pseudo dyad-symmetric disposition of the oligopurine and oligopyrimidine segments, as it appears in the HIV-1 genome. Phase-sensitive two-dimensional spectra (NOESY, ROESY, COSY and TOCSY) were obtained at three different temperatures (5, 15 and 25 degrees C) for a complete assignment of the non-exchangeable protons by tracing through sequence specific intra- and internucleotide connectivities. 2D-NOESY spectra were also acquired in aqueous (90% H2O-D2O) solutions, with two different methods of water signal suppression, to assign the exchangeable protons from specific NOE correlations. Adenine H2 protons were assigned by the use of NOE correlations and from T1 relaxation time measurements. The general spectral features and semi-quantitative interproton distance estimates indicate a B-DNA type conformation. However, some distinctly unusual features associated with the nucleotides at and immediately adjacent to both the 5'-and 3'-ends of AAA/TTT and GGG/CCC segments were noted. The complete assignments, and the observed characteristics, will be of significant value in studying the complexes of this transcriptionally active DNA domain with the protein and other rationally designed DNA binding agents.
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PMID:High resolution 2D-NMR studies indicating complete assignments and conformational characteristics of the NF-kappa B binding enhancer element of HIV-LTR. 857 87

The binding of small ligands to symmetrical oligomeric proteins may lead to a number of different partially ligated intermediates but should finally yield a symmetrical fully ligated enzyme/ligand complex. In the case of the trimeric protein, riboflavin synthase, some ligands form an unexpected protein/ligand complex, even in the presence of a large excess of ligand. Three different bound forms were observed by 19F NMR spectroscopy, and Scatchard-type analysis suggested binding sites of similar affinities. NOESY analysis of the kinetic network revealed that the three bound states exchange with free ligand, but not with each other, thus suggesting that the trimeric enzyme could be asymmetrical. This information permits appropriate precautions to be taken during X-ray structure analysis of riboflavin synthase, which is in progress. Quantitative analysis of the NOESY spectra yielded different rate constants for the different binding sites. For comparison, the monomeric lumazine protein was investigated as an example of a case with simple two-site exchange. For such systems, all kinetic parameters including kon and the dissociation constant can be determined from the NOESY spectrum. The data show that NMR spectroscopy can produce qualitative and quantitative information in cases of nonequivalent binding sites in oligomeric proteins if isolated NMR signals of the different forms can be observed. The technique is not limited to 19F as reporter nucleus.
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PMID:NMR analysis of site-specific ligand binding in oligomeric proteins. Dynamic studies on the interaction of riboflavin synthase with trifluoromethyl-substituted intermediates. 870 35

The secondary structures of the 5'-untranslated region (5'-UTR) of five different tymoviruses have been determined by structure probing, computer prediction and sequence comparison. Despite large sequence differences, there are remarkable similarities in the secondary structure. In all viruses two or four hairpins are found, most of which contain a symmetrical internal loop consisting of adjacent C-C or C-A mismatches. Since it is known that such mismatches can be protonated and protonated cytosines play an important role in RNA-protein interactions in tymoviral virions, the influence of pH on the conformation of the internal loop was studied. UV melting experiments and 1-dimensional proton NMR at varying pH values and salt concentrations confirm that the hairpins can be protonated under relatively mild conditions. The hairpin found in the 5'-UTR of erysimum latent virus, which has an asymmetrical internal loop consisting of cytosines and uridines, shows comparable behaviour. It is concluded that all tymoviral RNAs contain protonatable hairpins in the 5'-UTR. Binding experiments with empty viral capsids, however, do not yet establish a role in capsid protein binding.
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PMID:Protonatable hairpins are conserved in the 5'-untranslated region of tymovirus RNAs. 901 60

Spin-lattice relaxation times T1 and T1p as well as 1H NMR spectra have been employed to study the dynamics of the glass-forming di-isobutyl phthalate in the temperature range extending from 100 K, through the glass transition temperature Tg, up to 340 K. Below Tg NMR relaxation is governed by local dynamics and may be attributed to rotation of methyl groups at low temperatures and to motion of isobutyl groups in the intermediate temperature interval. Above Tg the main relaxation mechanism is provided by overall molecular motion. The observed relaxation behavior is explained by motional models assuming asymmetrical distributions of correlation times. The motional parameters obtained from Davidson-Cole distribution, which yields the best fit of the data at all temperatures are given.
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PMID:Local and global dynamics in the glass-forming di-isobutyl phthalate as studied by 1H NMR. 917 36


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