scholarly journals From crystallographic data to solution structure of photoreceptors: the case of AppA BLUF domain

2021 ◽  
Author(s):  
Shaima Hashem ◽  
Veronica Macaluso ◽  
Michele Nottoli ◽  
Filippo Lipparini ◽  
Lorenzo Cupellini ◽  
...  
Keyword(s):  
Structural Change ◽  
Light Absorption ◽  
Solution Structure ◽  
Crystallographic Data ◽  
Bluf Domain

Photoreceptor proteins bind a chromophore, which, upon light absorption, modifies its geometry or its interactions with the protein, finally inducing the structural change needed to switch the protein from an...

scholarly journals From Crystallographic Data to Solution Structure of Photoreceptors: The Case of AppA BLUF Domain

2021 ◽  
Author(s):  
Shaima Hashem ◽  
Veronica Macaluso ◽  
Michele Nottoli ◽  
Filippo Lipparini ◽  
Lorenzo Cupellini ◽  
...  
Keyword(s):  
Solution Structure ◽  
Molecular Mechanisms ◽  
Md Simulations ◽  
Hydrogen Bond Network ◽  
Light Activation ◽  
Activated State ◽  
Bond Network ◽  
Bluf Domain ◽  
First Time

<div>Photoreceptor proteins bind a chromophore, which, upon light absorption, modifies its geometry or its interactions with the protein, finally inducing the structural change needed to switch the protein from an inactive to an active or signaling state. In the Blue Light-Using Flavin (BLUF) family of photoreceptors, the chromophore is a flavin and the changes have been connected with a rearrangement of the hydrogen bond network around it on the basis of spectroscopic changes measured for the dark-to-light conversion. However, the exact conformational change triggered by the photoexcitation is still elusive mainly because a clear consensus on the identity not only of the light activated state but also of the dark one has not been achieved. Here, for the first time, we present an integrated investigation that combines microsecond MD simulations starting from the two conflicting crystal structures available for the AppA BLUF domain with calculations of NMR, IR and UV-Vis spectra using a polarizable QM/MM approach. Thanks to such a combined analysis of the three different spectroscopic responses, a robust characterization of the structure of the dark state in solution is given together with the uncovering of important flaws of the most popular molecular mechanisms present in the literature for the dark-to-light activation. </div>

scholarly journals The Solution Structure of the AppA BLUF Domain: Insight into the Mechanism of Light-Induced Signaling

ChemBioChem ◽  
2005 ◽  
Vol 7 (1) ◽  
pp. 187-193 ◽  
Author(s):  
Jeffrey S. Grinstead ◽  
Shang-Te D. Hsu ◽  
Wouter Laan ◽  
Alexandre M. J. J. Bonvin ◽  
Klaas J. Hellingwerf ◽  
...  
Keyword(s):  
Solution Structure ◽  
Bluf Domain ◽  
Insight Into

scholarly journals From Crystallographic Data to Solution Structure of Photoreceptors: The Case of AppA BLUF Domain

2021 ◽  
Author(s):  
Shaima Hashem ◽  
Veronica Macaluso ◽  
Michele Nottoli ◽  
Filippo Lipparini ◽  
Lorenzo Cupellini ◽  
...  
Keyword(s):  
Solution Structure ◽  
Molecular Mechanisms ◽  
Md Simulations ◽  
Hydrogen Bond Network ◽  
Light Activation ◽  
Activated State ◽  
Bond Network ◽  
Bluf Domain ◽  
First Time

<div>Photoreceptor proteins bind a chromophore, which, upon light absorption, modifies its geometry or its interactions with the protein, finally inducing the structural change needed to switch the protein from an inactive to an active or signaling state. In the Blue Light-Using Flavin (BLUF) family of photoreceptors, the chromophore is a flavin and the changes have been connected with a rearrangement of the hydrogen bond network around it on the basis of spectroscopic changes measured for the dark-to-light conversion. However, the exact conformational change triggered by the photoexcitation is still elusive mainly because a clear consensus on the identity not only of the light activated state but also of the dark one has not been achieved. Here, for the first time, we present an integrated investigation that combines microsecond MD simulations starting from the two conflicting crystal structures available for the AppA BLUF domain with calculations of NMR, IR and UV-Vis spectra using a polarizable QM/MM approach. Thanks to such a combined analysis of the three different spectroscopic responses, a robust characterization of the structure of the dark state in solution is given together with the uncovering of important flaws of the most popular molecular mechanisms present in the literature for the dark-to-light activation. </div>

Electron Microscopy of Shock Loaded Polycrystalline Beryllium

1974 ◽  
Vol 32 ◽  
pp. 506-507 ◽  
Author(s):  
J. M. Galbraith ◽  
L. E. Murr ◽  
A. L. Stevens
Keyword(s):  
Electron Microscopy ◽  
Wave Propagation ◽  
Structural Change ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Shock Loading ◽  
Slip Systems ◽  
Compression Tests ◽  
X Ray Diffraction ◽  
X Ray

Uniaxial compression tests and hydrostatic tests at pressures up to 27 kbars have been performed to determine operating slip systems in single crystal and polycrystal1ine beryllium. A recent study has been made of wave propagation in single crystal beryllium by shock loading to selectively activate various slip systems, and this has been followed by a study of wave propagation and spallation in textured, polycrystal1ine beryllium. An alteration in the X-ray diffraction pattern has been noted after shock loading, but this alteration has not yet been correlated with any structural change occurring during shock loading of polycrystal1ine beryllium.This study is being conducted in an effort to characterize the effects of shock loading on textured, polycrystal1ine beryllium. Samples were fabricated from a billet of Kawecki-Berylco hot pressed HP-10 beryllium.

Solution structure of cytochrome b5 mutant (E44/48/56A/D60A) and its interaction with cytochrome c

2001 ◽  
Vol 268 (6) ◽  
pp. 1620-1630
Author(s):  
Yibing Wu ◽  
Yunhua Wang ◽  
Chengmin Qian ◽  
Jun Lu ◽  
Ercheng Li ◽  
...  
Keyword(s):  
Cytochrome C ◽  
Solution Structure ◽  
Cytochrome B5

Women and Structural Change: New Perspectives

1998 ◽  
Vol 52 (1) ◽  
pp. 122-122
Author(s):  
Alaka M. Basu
Keyword(s):  
Structural Change

A RE-CORRELATION OF THE VIBRATIONAL SPECTRA AND CRYSTALLOGRAPHIC DATA FOR THE VARIOUS ICE POLYMORPHS

1987 ◽  
Vol 48 (C1) ◽  
pp. C1-37-C1-43 ◽  
Author(s):  
B. MINČEVA-ŠUKAROVA ◽  
G. E. SLARK ◽  
W. F. SHERMAN ◽  
G. R. WILKINSON
Keyword(s):  
Vibrational Spectra ◽  
Crystallographic Data

Productivity Growth, Structural Change and Informality: The Case of Russia

2015 ◽  
pp. 30-61 ◽  
Author(s):  
I. Voskoboynikov ◽  
V. Gimpelson
Keyword(s):  
Structural Change ◽  
Productivity Growth ◽  
Labour Productivity ◽  
Alternative Methods ◽  
Industry Effects ◽  
Labour Productivity Growth ◽  
Russian Economy ◽  
Negative Effect ◽  
Total Labour

This study considers the influence of structural change on aggregate labour productivity growth of the Russian economy. The term "structural change" refers to labour reallocation both between industries and between formal and informal segments within an industry. Using Russia KLEMS and official Rosstat data we decompose aggregate labour productivity growth into intra-industry (within) and between industry effects with four alternative methods of the shift-share analysis. All methods provide consistent results and demonstrate that total labour reallocation has been growth enhancing though the informality expansion has had a negative effect. As our study suggests, it is caused by growing variation in productivity levels across industries.

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