Faculty Opinions recommendation of Three-dimensional model of the human platelet integrin alpha IIbbeta 3 based on electron cryomicroscopy and x-ray crystallography.

The power spectrum of proteins at high frequencies is remarkably well described by the flat Wilson statistics. Wilson statistics therefore plays a significant role in X-ray crystallography and more recently in electron cryomicroscopy (cryo-EM). Specifically, modern computational methods for three-dimensional map sharpening and atomic modelling of macromolecules by single-particle cryo-EM are based on Wilson statistics. Here the first rigorous mathematical derivation of Wilson statistics is provided. The derivation pinpoints the regime of validity of Wilson statistics in terms of the size of the macromolecule. Moreover, the analysis naturally leads to generalizations of the statistics to covariance and higher-order spectra. These in turn provide a theoretical foundation for assumptions underlying the widespread Bayesian inference framework for three-dimensional refinement and for explaining the limitations of autocorrelation-based methods in cryo-EM.

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A theoretical three-dimensional model for lactoperoxidase and eosinophil peroxidase, built on the scaffold of the myeloperoxidase X-ray structure

JBIC Journal of Biological Inorganic Chemistry ◽

10.1007/s007750050081 ◽

1996 ◽

Vol 1 (5) ◽

pp. 476-485 ◽

Cited By ~ 24

Author(s):

De Gioia ◽

Elena M. Ghibaudi ◽

Enzo Laurenti ◽

Mario Salmona ◽

R. P. Ferrari

Keyword(s):

Three Dimensional ◽

Dimensional Model ◽

Three Dimensional Model ◽

X Ray ◽

Eosinophil Peroxidase

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Structure of human BPI (bactericidal/permeability-increasing protein) and implications for related proteins

Biochemical Society Transactions ◽

10.1042/bst0310791 ◽

2003 ◽

Vol 31 (4) ◽

pp. 791-794 ◽

Cited By ~ 31

Author(s):

L.J. Beamer

Keyword(s):

Three Dimensional ◽

Structural Features ◽

Secretory Protein ◽

Sequence Database ◽

Dimensional Model ◽

Three Dimensional Model ◽

X Ray ◽

Fold Family ◽

Parotid Secretory Protein ◽

Related Proteins

Human bactericidal/permeability-increasing protein (BPI) belongs to a family of mammalian lipopolysaccharide-binding and lipid transport proteins. Recent sequence database searches indicate that several other protein families, including the palate, lung and nasal epithelial clone (PLUNC), parotid secretory protein (PSP) and BPI-like proteins, are likely to share the BPI fold, which was determined through X-ray crystallographic studies. As the single representative of its fold family of known structure, the three-dimensional model of BPI suggests structural features that are likely to be conserved across this large and varied group of proteins.

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Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

Journal of Chemical Information and Modeling ◽

10.1021/ci00020a039 ◽

1994 ◽

Vol 34 (4) ◽

pp. 1000-1008 ◽

Cited By ~ 424

Author(s):

Jens Sadowski ◽

Johann Gasteiger ◽

Gerhard Klebe

Keyword(s):

Three Dimensional ◽

Dimensional Model ◽

Three Dimensional Model ◽

X Ray

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X-ray analysis of the structure of dibenzyl II—Fourier analysis

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1935.0106 ◽

1935 ◽

Vol 150 (870) ◽

pp. 348-362 ◽

Cited By ~ 18

Keyword(s):

Fourier Analysis ◽

Molecular Model ◽

Three Dimensional ◽

Three Dimensions ◽

Dimensional Model ◽

Three Dimensional Model ◽

X Ray ◽

Structure Factors ◽

Benzene Rings ◽

Definition Of

The first part of this work described the analysis of the structure by trial and gave some account of the experimental measurements. It was shown that in contrast with planar aromatic structures like naphthalene and diphenyl, the dibenzyl molecule in the crystal extends in three dimensions. In the molecular model which gave the best explanation of the results the planes of the benzene rings were at right angles to the plane containing the zig-zag of the connecting CH 2 groups. On the basis of this approximation the experimentally determined structure factors for three zones of reflections have now been subjected to a double Fourier analysis, and the results, given below, lead to a more precise definition of the orientation and give a more direct approach to the details of the molecular structure and dimensions. In the final result the regular three-dimensional model is slightly modified, the planes of the benzene rings being apparently turned from 13° to 16° out of the symmetrical position.

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