Skip to content

Commit 972904a

Browse files
author
Andreas Prlic
committed
working on asym unit
1 parent dc6c02d commit 972904a

3 files changed

Lines changed: 77 additions & 0 deletions

File tree

structure/bioassembly.md

Lines changed: 77 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1,3 +1,80 @@
11
Asymmetric Unit and Biological Assembly
22
=======================================
33

4+
For many proteins, the asymmetric unit and the biological assembly are the same. However there are quite a few proteins where they are not identical and depending on what you are interested in, it might be important that you work with the biological assembly, instead of the asymmetric unit.
5+
6+
## Asymmetric Unit
7+
8+
The asymmetric unit is the smallest portion of a crystal structure to which symmetry operations can be applied in order to generate the complete unit cell (the crystal repeating unit).
9+
10+
A crystal asymmetric unit may contain:
11+
12+
* one biological assembly
13+
* a portion of a biological assembly
14+
* multiple biological assemblies
15+
16+
## Biological Assembly
17+
18+
The biological assembly (also sometimes referred to as the biological unit) is the macromolecular assembly that has either been shown to be or is believed to be the functional form of the molecule For example, the functional form of hemoglobin has four chains.
19+
20+
The StructureIO and AtomCache classes in Biojava provide access methods to work with either asymmetric unit or biological assembly.
21+
22+
Let's load both representations of hemoglobin PDB ID [1HHO](http://www.rcsb.org/pdb/explore.do?structureId=1hho) and visualize it:
23+
24+
<pre>
25+
public static void main(String[] args){
26+
27+
try {
28+
Structure asymUnit = StructureIO.getStructure("1hho");
29+
30+
showStructure(asymUnit);
31+
32+
Structure bioAssembly = StructureIO.getBiologicalAssembly("1hho");
33+
34+
showStructure(bioAssembly);
35+
36+
} catch (Exception e){
37+
e.printStackTrace();
38+
}
39+
40+
}
41+
42+
public static void showStructure(Structure structure){
43+
44+
StructureAlignmentJmol jmolPanel = new StructureAlignmentJmol();
45+
46+
jmolPanel.setStructure(structure);
47+
48+
// send some commands to Jmol
49+
jmolPanel.evalString("select * ; color chain;");
50+
jmolPanel.evalString("select *; spacefill off; wireframe off; cartoon on; ");
51+
jmolPanel.evalString("select ligands; cartoon off; wireframe 0.3; spacefill 0.5; color cpk;");
52+
53+
}
54+
</pre>
55+
56+
57+
<table>
58+
<tr>
59+
<td>
60+
The asymmetric unit of hemoglobin PDB ID <a href="http://www.rcsb.org/pdb/explore.do?structureId=1hho">1HHO</a>
61+
</td>
62+
<td>
63+
The biological assembly of hemoglobin PDB ID <a href="http://www.rcsb.org/pdb/explore.do?structureId=1hho">1HHO</a>
64+
</td>
65+
</tr>
66+
<tr>
67+
<td>
68+
<img src="img/1hho_asym.png"/>
69+
</td>
70+
<td>
71+
<img src="img/1hho_biounit.png"/>
72+
</td>
73+
</tr>
74+
</table>
75+
76+
As we can see, the two representations are quite different!
77+
78+
## Further Reading
79+
80+
The RCSB PDB web site has a great [tutorial on Biological Assemblies](http://www.rcsb.org/pdb/101/static101.do?p=education_discussion/Looking-at-Structures/bioassembly_tutorial.html)

structure/img/1hho_asym.png

81.8 KB
Loading

structure/img/1hho_biounit.png

110 KB
Loading

0 commit comments

Comments
 (0)