Connectivity of proton and carbon spectra of the blue copper protein, plastocyanin, established by two-dimensional nuclear magnetic resonance

AbstractNMR studies of plastocyanin have centered on the ligands to the copper atom at the active site, particularly histidines-37 and -87. Heteronuclear (13C, 1H) J-connectivity spectroscopy has enabled cross assignment of 1H and 13C NMR resonances from the two copper-ligated histidines. In addition to providing assignments of the 13C resonances, the two-dimensional Fourier transform NMR results require the reversal of the original 1H NMR assignments to the ring protons of histidine-37. The line widths of the ring protons of histidine-87 are field-dependent leading to determination of the reduced lifetime of the proton on the Nδ atom (about 400 μs)

An MME-based attitude estimator using vector observations

In this paper, an optimal batch estimator and filter based on the Minimum Model Error (MME) approach is developed for three-axis stabilized spacecraft. Three different MME algorithms are developed. The first algorithm estimates the attitude of a spacecraft using rate measurements. The second algorithm estimates the attitude without using rate measurements. The absence of rate data may be a result of intentional design or from unexpected failure of existing gyros. The third algorithm determines input-torque modeling error trajectories. All of the algorithms developed in this paper use attitude sensors (e.g., three-axis magnetometers, sun sensors, star trackers, etc.). Results using these new algorithms indicate that an MME-based approach accurately estimates the attitude, rate, and input torque trajectories of an actual spacecraft

Attitude Estimation Using Modified Rodrigues Parameters

In this paper, a Kalman filter formulation for attitude estimation is derived using the Modified Rodrigues Parameters. The extended Kalman filter uses a gyro-based model for attitude propagation. Two solutions are developed for the sensitivity matrix in the Kalman filter. One is based upon an additive error approach, and the other is based upon a multiplicative error approach. It is shown that the two solutions are in fact equivalent. The Kalman filter is then used to estimate the attitude of a simulated spacecraft. Results indicate that then new algorithm produces accurate attitude estimates by determining actual gyro biases

Two-dimensional concurrent HMQC-COSY as an approach for small molecule chemical shift assignment and compound identification

Chemical shift assignment is the first step toward the structure elucidation of natural products and other chemical compounds. We propose here the use of 2D concurrent HMQC-COSY as an experiment for rapid chemical shift assignment of small molecules. This experiment provides well-dispersed 1H–13C peak patterns that are distinctive for different functional groups plus 1H–1H COSY connectivities that serve to identify adjacent groups. The COSY diagonal peaks, which are phased to be absorptive, resemble 1H–13C HMQC cross peaks. We demonstrate the applicability of this experiment for rapidly and unambiguously establishing correlations between different functional groups through the analysis of the spectrum of a metabolite (jasmonic acid) dissolved in CDCl3. In addition, we show that the experiment can be used to assign spectra of compounds in a mixture of metabolites in D2O

Attitude Estimation for Large Field-of-View Sensors

The QUEST measurement noise model for unit vector observations has been widely used in spacecraft attitude estimation for more than twenty years. It was derived under the approximation that the noise lies in the tangent plane of the respective unit vector and is axially symmetrically distributed about the vector. For large field-of-view sensors, however, this approximation may be poor, especially when the measurement falls near the edge of the field of view. In this paper a new measurement noise model is derived based on a realistic noise distribution in the focal-plane of a large field-of-view sensor, which shows significant differences from the QUEST model for unit vector observations far away from the sensor boresight. An extended Kalman filter for attitude estimation is then designed with the new measurement noise model. Simulation results show that with the new measurement model the extended Kalman filter achieves better estimation performance using large field-of-view sensor observations

The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data

The worldwide Protein Data Bank (wwPDB) is the international collaboration that manages the deposition, processing and distribution of the PDB archive. The online PDB archive is a repository for the coordinates and related information for more than 38 000 structures, including proteins, nucleic acids and large macromolecular complexes that have been determined using X-ray crystallography, NMR and electron microscopy techniques. The founding members of the wwPDB are RCSB PDB (USA), MSD-EBI (Europe) and PDBj (Japan) [H.M. Berman, K. Henrick and H. Nakamura (2003) Nature Struct. Biol., 10, 980]. The BMRB group (USA) joined the wwPDB in 2006. The mission of the wwPDB is to maintain a single archive of macromolecular structural data that are freely and publicly available to the global community. Additionally, the wwPDB provides a variety of services to a broad community of users. The wwPDB website at provides information about services provided by the individual member organizations and about projects undertaken by the wwPDB

Role of aminotransferases in glutamate metabolism of human erythrocytes

Human erythrocytes require a continual supply of glutamate to support glutathione synthesis, but are unable to transport this amino acid across their cell membrane. Consequently, erythrocytes rely on de novo glutamate biosynthesis from α-ketoglutarate and glutamine to maintain intracellular levels of glutamate. Erythrocytic glutamate biosynthesis is catalyzed by three enzymes, alanine aminotransferase (ALT), aspartate aminotransferase (AST), and glutamine aminohydrolase (GA). Although the presence of these enzymes in RBCs has been well documented, the relative contributions of each pathway have not been established. Understanding the relative contributions of each biosynthetic pathway is critical for designing effective therapies for sickle cell disease, hemolytic anemia, pulmonary hypertension, and other glutathione-related disorders. In this study, we use multidimensional 1H–13C nuclear magnetic resonance (NMR) spectroscopy and multiple reaction mode mass spectrometry (MRM-MS) to measure the kinetics of de novo glutamate biosynthesis via AST, ALT, and GA in intact cells and RBC lysates. We show that up to 89% of the erythrocyte glutamate pool can be derived from ALT and that ALT-derived glutamate is subsequently used for glutathione synthesis