The function of a protein being a direct consequence of its 3-D structure (shape),the logical link was established.

Sequence >> Structure >> Function

It is now a central concept of molecular biology and
bioinformatics. As a consequence, an increasing proportion
of the bioinformatics pie is now devoted to the development
of tools to navigate between sequences and 3-D structures.
(This specialized area is called structural bioinformatics.)

Please use the following sequence to explain this concept.

 

For determining the 3-D structure and function of unknow sequence the method that I use were seperated in 2 steps.

 

First step to identify the kind of protein from unknow sequence by use

ffrom ncbi >>blast>> translate query vs. protein data base (blastx)>>blast by using DNA sequence and select pdb for database

Click here to see the process step by step

tThe result will show many blast hits seleced the highest score and use the name of pdb molecule for prediction structure in the next step

 

From this result unknow sequence translated to Brct Repeat Region of Brca1 Breast cancer Associated protein,pdb molecule is 1JNX which use in next step.

 

Second determine the 3-D structure by using 1JNX (name of pdb molecule)
search in PDB web.

The result show the structure and other details of 1JNX

You can select many types of display and go to see your intersested informations.

Example of display

This is the example of details in stuctural reports.

The important of protein function in relation to binding is depend on the three-dimensional structure. Therefore understanding of the three-dimensional arrangement necessary for studying in protein interaction or function.

Structure change base on sequence and other post-transcriptional modifiction.When we study sequence and structure, we can understand which sequence and structural changes have functional effects, and which do not.