Introduction to molecular visualization: Difference between revisions

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<span style="background-color:black;padding:5px 8px 1px 6px;font-size:140%;"><b><font color="#bbb">C</font> <font color="white">H</font> <font color="red">O</font> <font color="#58f">N</font> <font color="yellow">S</font></b></span>
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Atomic representations (displays, renderings) include '''ball-and-stick, stick (wireframe), and spacefilling'''. The 20 amino acids are [http://biomodel.uah.es/en/model3/aa.htm here represented in each of these 3 ways], and also illustrated in this [[Glycine|page about Glycine]]. These representations show positions of atoms and covalent bonds. Such representations are useful for looking at atomic detail, but become too cluttered to be useful for visualizing [[peptides]] or [[chains|protein chains]].
Atomic representations (displays, renderings) include '''ball-and-stick, stick (wireframe), and spacefilling'''. The 20 amino acids are [http://biomodel.uah.es/en/model3/aa.htm here represented in each of these 3 ways], and also illustrated in this [[Glycine|page about Glycine]]. These representations show positions of atoms and covalent bonds. [[Hydrogen in macromolecular models|Hydrogen]], shown
in the images at right, is [[Hydrogen in macromolecular models|often missing]] in crystallographic models. Such representations are useful for looking at atomic detail, but become too cluttered to be useful for visualizing [[peptides]] or [[chains|protein chains]].


''Ball and stick'' is one option in the ''representations'' tab of Proteopedia's [[Scene Authoring Tools]]. Another is ''stick'', also called ''wireframe''.
''Ball and stick'' is one option in the ''representations'' tab of Proteopedia's [[Scene Authoring Tools]]. Another is ''stick'', also called ''wireframe''.
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===Simplified Schematic Representations===
===Simplified Schematic Representations===
====Backbones====
<table align="right" class="wikitable" style="text-align:center;margin: 0px 0px 0px 16px;"><tr><td>
<table align="right" class="wikitable" style="text-align:center;margin: 0px 0px 0px 16px;"><tr><td>
[[Image:Helix-bb-wf.png|200px]]
[[Image:Helix-bb-wf.png|200px]]
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Ribbon<br>backbone trace
Ribbon<br>backbone trace
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Simplified representations such as '''[[Backbone_representations|backbone traces or ribbons/cartoons]]''' are very helpful in understanding structure when it comes to large molecules such as proteins, DNA, RNA and their complexes. These representations are available under the ''representations'' tab in Proteopedia's [[Scene Authoring Tools]], as well as in the ''Views'' tab in [[FirstGlance in Jmol]].
Simplified representations of the polypeptide backbone or main chain, such as '''[[Backbone_representations|backbone traces or ribbons/cartoons]]''' are very helpful in understanding structure when it comes to large molecules such as proteins, DNA, RNA and their complexes. These representations are available under the ''representations'' tab in Proteopedia's [[Scene Authoring Tools]], as well as in the ''Views'' tab in [[FirstGlance in Jmol]].
 
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====Disulfide Bonds====
<table class="wikitable" style="text-align:center;margin: 0px 0px 0px 16px;">
<tr><td width="200">
[[Image:Ss1.png|200px]]
</td><td width="180">
[[Image:Ss2.png|180px]]
</td><td width="180">
[[Image:Ss3.png|180px]]
</td><td width="160">
[[Image:Ss4.png|160px]]
</td><td width="170">
[[Image:Ss5.png|170px]]
</td></tr><tr><td>
Atomic detail of a between-chain disulfide bond in [[9ins]].
<span style="background-color:black;padding:5px 8px 1px 6px;font-size:120%;"><b><font color="#bbb">C</font> <font color="red">O</font> <font color="#58f">N</font> <font color="yellow">S</font></b></span>
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Protein chains
<span style="background-color:black;padding:5px 8px 1px 6px;font-size:110%;"><b><font color="#acb8e2">A</font> <font color="#a0df99">B</font></b></span>
simplified to backbone traces.
</td><td>
[[FirstGlance in Jmol|FirstGlance]] enlarges the sulfur-sulfur bond.
</td><td>
Schematic disulfide bridge connecting ribbon backbones.
</td><td>
Disulfide bridge colored by chain, an option in [[FirstGlance in Jmol|FirstGlance]].
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[[FirstGlance in Jmol]] highlights disulfide bonds in one click (in its ''Tools'' tab), and has
several options for rendering and coloring them.


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{{Clear}}
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See [[Help:Color Keys]] for color-key templates in Proteopedia.
See [[Help:Color Keys]] for color-key templates in Proteopedia.
{{Clear}}


==Visualizing Structural Features==
==Visualizing Structural Features==
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{{Clear}}
{{Clear}}
==Obtaining Molecular Models==
==Obtaining Molecular Models==
Methods for searching the [[Protein Data Bank]] for published empirical 3D models are [[Practical_Guide_to_Homology_Modeling#Do_you_need_a_homology_model.3F|explained here]]. ''Empirical models'' are those determined by experimentation, notably [[X-ray diffraction]], [[solution nuclear magnetic resonance]], or cryo-electron microscopy. Empirical models are far more reliable than [[theoretical models]], but one must pay attention to the [[Quality assessment for molecular models|quality of an empirical model]] since some are more reliable than others.
You can browse for molecular models at the [http://atlas.molviz.org Atlas of Macromolecules], the [http://pdb101.rcsb.org/ Molecule of the Month], or [https://web.expasy.org/spotlight/ Protein Spotlight].
 
[[How To Find A Structure]] explains an easy way to find a structure for a protein of interest, and how to choose the best one available when there is more than one. [[Empirical models]] are those determined by experimentation, notably [[X-ray diffraction]], [[solution nuclear magnetic resonance]], or [[electron cryomicroscopy]]. Empirical models are the most reliable, but one must pay attention to the [[Quality assessment for molecular models|quality of an empirical model]] since some are more reliable than others.


Empirical models are available for only a small fraction of all proteins, probably <10%. If an empirical model is not available, the next best thing would be a [[homology model]]. About one third of all proteins can be reliably homology modeled, but homology models have [[Practical_Guide_to_Homology_Modeling#Limitations_of_Homology_Modeling|more uncertainties]] than do empirical models.
Empirical models are available for only a small fraction of all proteins, probably <10%. When an empirical model is not available, [[AlphaFold]] has a proven track record of predicting protein structures correctly from their sequences, using artificial intelligence (AI). [[AlphaFold]] also reliably predicts the confidence of each part of a predicted structure.


==See Also==
==See Also==
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*[[History of Macromolecular Visualization]]
*[[History of Macromolecular Visualization]]
*[[Molecular Sculpture]]
*[[Molecular Sculpture]]
[[Category: Alternate Renderings]]

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

Eric Martz, Karsten Theis