Would you like to see an interactive virus capsid model quickly and
easily? Slab it or cut it in half? A clathrin coat? A bacterial gas
vesicle? The mysterious "vault" eukaryotic nanocompartment?
https://proteopedia.org/w/FirstGlance/Virus_Capsids_and_Other_Large_Assemblies
https://proteopedia.org/w/FirstGlance/Virus_Capsids_and_Other_Large_Assemblies
The views at the above link were obtained with Version 4.0
ofFirstGlance in Jmolreleased August 15, 2022 (free and open source;
google "firstglance" as one word, orhttp://firstglance.jmol.org). Newly,
it automatically constructs "biological assemblies" and shows
"biomolecule 1" in its initial view. Exploring the asymmetric unit is
then an option.
Very large assemblies* are automatically simplified to alpha carbons, or
a subset of alpha carbons; see examples at the above link.
What are such simplified models good for? They can be measured, colored
by secondary structure, hydrophobic/polar, charge, amino-to-carboxy
rainbow, or evolutionary conservation (if pre-processed by the ConSurf
Server). Each group of sequence-identical chains can be assigned a
distinct color (under Solid in the Views tab).
To clear the old FirstGlance out of your browser cache:
http://firstglance.jmol.org/fg.htm?mol=7mgp
Regardless of whether the molecule is displayed, hold down the Shift key
while clicking Reload. Shift-Reload forces the browser to get all
files from the server. In the 7mgp tab, click on "Biological Unit 1" to
see that the hexamer displayed has been constructed from a single chain
in the asymmetric unit.
You can make ananimation, ready to drop into a presentation slide,
from any view in FirstGlance. It takes just a few mouse clicks. Examples
in Google Slides:
http://tinyurl.com/movingmolecules http://tinyurl.com/movingmolecules
A small assembly, 2acz, has 4 chains in its asymmetric unit, and 12
chains in its biomolecule 1. You will be offered the option to simplify,
so you can try it both ways. Even simplified to alpha carbons,
thetransmembrane helices stand outwith the hydrophobic/polar and
charge views. Its construction can be understood by giving adistinct
color to each of the 4 sequence-distinct protein chains(Solid in the
Views tab).
http://firstglance.jmol.org/fg.htm?mol=2acz
http://firstglance.jmol.org/fg.htm?mol=2acz
Structural biologists: With FirstGlance, you can't miss (after clicking
"Show more details") incomplete sidechains, missing residues, alternate
locations (can be animated), occupancy < 1.0 (all exemplified in 1ijw).
All salt bridges can be displayed with one click (Tools tab), and a
spreadsheet-ready list is reported with one more click. A "Contacts &
Non-Covalent Interactions" tool makes it easy to visualize the
interactions with any moiety you specify. Protein crosslinks are
automatically detected and highlighted/zoomed with a few clicks:
isopeptides, thioesters, thioethers, his-tyr, lys-cys NOS as well as, of
course, disulfides. Step by step:
https://proteopedia.org/w/FirstGlance/Evaluating_Protein_Crosslinks
https://proteopedia.org/w/FirstGlance/Evaluating_Protein_Crosslinks
Electron density maps (or EM density maps) can be displayed for anything
selected with the Find.. dialog, as well as crosslinks and ends of
chains. See examples from FirstGlance here:
https://proteopedia.org/w/Electron_density_maps
https://proteopedia.org/w/Electron_density_maps
New color schemes for simplified models:
http://firstglance.jmol.org/notes.htm#bucolors
http://firstglance.jmol.org/notes.htm#bucolors
*"Very large assemblies" means >25,000 non-hydrogen atoms. Only about 3%
of entries in the World-Wide Protein Data Bank have biological
assemblies that large. However, these include very important structures,
such as virus capsids. Simplification rules:
http://firstglance.jmol.org/notes.htm#simplification
http://firstglance.jmol.org/notes.htm#simplification
Hope you enjoy!
Eric Martz, Professor Emeritus, Dept Microbiology (he/him/his)
Univ. Massachusetts, Amherst-- Martz.MolviZ.Org http://martz.molviz.org/
Would you like to see an interactive virus capsid model quickly and
easily? Slab it or cut it in half? A clathrin coat? A bacterial gas
vesicle? The mysterious "vault" eukaryotic nanocompartment?
https://proteopedia.org/w/FirstGlance/Virus_Capsids_and_Other_Large_Assemblies
<https://proteopedia.org/w/FirstGlance/Virus_Capsids_and_Other_Large_Assemblies>
The views at the above link were obtained with Version 4.0
of*FirstGlance in Jmol*released August 15, 2022 (free and open source;
google "firstglance" as one word, orhttp://firstglance.jmol.org). Newly,
it automatically constructs "biological assemblies" and shows
"biomolecule 1" in its initial view. Exploring the asymmetric unit is
then an option.
Very large assemblies* are automatically simplified to alpha carbons, or
a subset of alpha carbons; see examples at the above link.
What are such simplified models good for? They can be measured, colored
by secondary structure, hydrophobic/polar, charge, amino-to-carboxy
rainbow, or evolutionary conservation (if pre-processed by the ConSurf
Server). Each group of sequence-identical chains can be assigned a
distinct color (under Solid in the Views tab).
To clear the old FirstGlance out of your browser cache:
http://firstglance.jmol.org/fg.htm?mol=7mgp
Regardless of whether the molecule is displayed, hold down the Shift key
while clicking Reload. *Shift-Reload* forces the browser to get all
files from the server. In the 7mgp tab, click on "Biological Unit 1" to
see that the hexamer displayed has been constructed from a single chain
in the asymmetric unit.
You can make an*animation, ready to drop into a presentation slide*,
from any view in FirstGlance. It takes just a few mouse clicks. Examples
in Google Slides:
http://tinyurl.com/movingmolecules <http://tinyurl.com/movingmolecules>
A small assembly, 2acz, has 4 chains in its asymmetric unit, and 12
chains in its biomolecule 1. You will be offered the option to simplify,
so you can try it both ways. Even simplified to alpha carbons,
the*transmembrane helices stand out*with the hydrophobic/polar and
charge views. Its construction can be understood by giving a*distinct
color to each of the 4 sequence-distinct protein chains*(Solid in the
Views tab).
http://firstglance.jmol.org/fg.htm?mol=2acz
<http://firstglance.jmol.org/fg.htm?mol=2acz>
Structural biologists: With FirstGlance, you can't miss (after clicking
"Show more details") incomplete sidechains, missing residues, alternate
locations (can be animated), occupancy < 1.0 (all exemplified in 1ijw).
All salt bridges can be displayed with one click (Tools tab), and a
spreadsheet-ready list is reported with one more click. A "Contacts &
Non-Covalent Interactions" tool makes it easy to visualize the
interactions with any moiety you specify. Protein crosslinks are
automatically detected and highlighted/zoomed with a few clicks:
isopeptides, thioesters, thioethers, his-tyr, lys-cys NOS as well as, of
course, disulfides. Step by step:
https://proteopedia.org/w/FirstGlance/Evaluating_Protein_Crosslinks
<https://proteopedia.org/w/FirstGlance/Evaluating_Protein_Crosslinks>
Electron density maps (or EM density maps) can be displayed for anything
selected with the Find.. dialog, as well as crosslinks and ends of
chains. See examples from FirstGlance here:
https://proteopedia.org/w/Electron_density_maps
<https://proteopedia.org/w/Electron_density_maps>
New color schemes for simplified models:
http://firstglance.jmol.org/notes.htm#bucolors
<http://firstglance.jmol.org/notes.htm#bucolors>
*"Very large assemblies" means >25,000 non-hydrogen atoms. Only about 3%
of entries in the World-Wide Protein Data Bank have biological
assemblies that large. However, these include very important structures,
such as virus capsids. Simplification rules:
http://firstglance.jmol.org/notes.htm#simplification
<http://firstglance.jmol.org/notes.htm#simplification>
Hope you enjoy!
Eric Martz, Professor Emeritus, Dept Microbiology (he/him/his)
Univ. Massachusetts, Amherst-- Martz.MolviZ.Org <http://martz.molviz.org/>
* Guided Exploration of Macromolecules with Powerpoint-Ready
Animations: FirstGlance.Jmol.Org <http://firstglance.jmol.org/>
* Make Custom Interactive Molecular Scenes EASILY: Proteopedia.Org
<http://proteopedia.org/>
* DNA, Hemoglobin, etc. Tutorials: MolviZ.Org <http://molviz.org/>
* Find Functional Patches in Proteins with ConSurf
<http://consurf.tau.ac.il/>
* Atlas of Macromolecules: Atlas.MolviZ.Org <http://atlas.molviz.org/>
* See multiple protein sequence alignments clearly: MSAReveal.Org
<http://msareveal.org/>
* Pockets And Cavities Using Pseudoatoms in Proteins: PACUPP
<http://molviz.org/pacupp>
* Interactive Molecules in Architectural Spaces:
MolecularPlayground.Org <http://molecularplayground.org/>
* Teaching Plans: Workshops.MolviZ.Org <http://workshops.molviz.org/>