Ribbon diagrams, also known as Richardson diagrams, are 3D schematic representations of protein structure and are one of the most common methods of protein depiction used today. The ribbon depicts the general course and organisation of the protein backbone in 3D and serves as a visual framework for hanging details of the entire atomic structure, such as the balls for the oxygen atoms attached to myoglobin's active site in the adjacent figure. Ribbon diagrams are generated by interpolating a smooth curve through the polypeptide backbone. α-helices are shown as coiled ribbons or thick tubes, β-strands as arrows, and non-repetitive coils or loops as lines or thin tubes. The direction of the polypeptide chain is shown locally by the arrows, and may be indicated overall by a colour ramp along the length of the ribbon.
Ribbon diagrams are simple yet powerful, expressing the visual basics of a molecular structure (twist, fold and unfold). This method has successfully portrayed the overall organization of protein structures, reflecting their three-dimensional nature and allowing better understanding of these complex objects both by expert structural biologists and by other scientists, students, and the general public.
The first ribbon diagrams, hand-drawn by Jane S. Richardson in 1980 (influenced by earlier individual illustrations), were the first schematics of 3D protein structure to be produced systematically. They were created to illustrate a classification of protein structures for an article in Advances in Protein Chemistry (now available in annotated form on-line at Anatax). These drawings were outlined in pen on tracing paper over a printout of a Cα trace of the atomic coordinates, and shaded with colored pencil or pastels; they preserved positions, smoothed the backbone path, and incorporated small local shifts to disambiguate the visual appearance. As well as the triose isomerase ribbon drawing at the right, other hand-drawn examples depicted prealbumin, flavodoxin, and Cu,Zn superoxide dismutase.
In 1982, Arthur M.
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RasMol est un logiciel de graphisme moléculaire gratuit permettant de représenter des molécules en 3D à partir de différents formats standards de fichiers de représentation de molécules. Il fonctionne sur plateformes MacOS, Windows et Linux. Les types de fichier acceptés par RasMol sont entre autres les formats : PDB (Protein Data Bank) MDL (Molecular Design Limited) MSC (Minnesota Supercomputer Center) CIF Il utilise les possibilités des cartes graphiques 3D pour faire tourner en temps réel dans l'espace les molécules importées, puis éventuellement le nouvel ensemble de molécules ainsi assemblé.
Molecular graphics is the discipline and philosophy of studying molecules and their properties through graphical representation. IUPAC limits the definition to representations on a "graphical display device". Ever since Dalton's atoms and Kekulé's benzene, there has been a rich history of hand-drawn atoms and molecules, and these representations have had an important influence on modern molecular graphics. Colour molecular graphics are often used on chemistry journal covers artistically.
La banque de données sur les protéines ou BDP du Research Collaboratory for Structural Bioinformatics, plus communément appelée Protein Data Bank ou PDB est une collection mondiale de données sur la structure tridimensionnelle (ou structure 3D) de macromolécules biologiques : protéines, essentiellement, et acides nucléiques. Ces structures sont essentiellement déterminées par cristallographie aux rayons X ou par spectroscopie RMN. Ces données expérimentales sont déposées dans la PDB par des biologistes et des biochimistes du monde entier et appartiennent au domaine public.
Knowledge-based approaches use the statistics collected from protein data-bank structures to estimate effective interaction potentials between amino acid pairs. Empirical relations are typically employed that are based on the crucial choice of a reference ...
PUBLIC LIBRARY SCIENCE2022
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Background: The RCSB Protein Data Bank (PDB) provides public access to experimentally determined 3D-structures of biological macromolecules (proteins, peptides and nucleic acids). While various tools are available to explore the PDB, options to access the ...
Biomed Central Ltd2015
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Using a combination of single-crystal and powder X-ray diffraction measurements, we study temperature- and pressure-driven structural distortions in zinc(II) cyanide (Zn(CN)(2)) and cadmium(II) imidazolate (Cd(im)(2)), two molecular frameworks with the ant ...