Wednesday 26 September 2012

PROTEIN DATA BANK (PDB) AND RASMOL

Hi everyone...it's me again.!!
uppss sorry..>.<
Assalamualaikum..^.^
How was ur day? extremely good..Not so bad..or teribble?
Huh whatever it is life must go on. The problems that you face will make you appreciate about life..

Let go of all the stresses and devastations.
Let go of all the insults and underestimations.
Let go of all your enemies.
Let go of those who are insignificant and contributing unenthusiastically in your life.
Let go of those who edify your criminal deeds.

Let go and move on...keep smiling,and remember LIFE GOES ON



http://sphotos-e.ak.fbcdn.net/hphotos-ak-snc7/384201_476021729086334_1599055143_n.jpg

Aha..!!
Wednesday is back and you know what..!! my COMPUTER IN SCIENCE class..!!!  I'd really love this class and the most awaited time by all students because we will play around with computer (the important technology nowadays)..yeah..

New lesson for today that I would like to share with all of you around the globe is PDB. A useful knowledge for sciences students especially whoever persue their study in BOITECHNOLOGY (like me). 

Protein Data Bank (PDB) is a repository for 3-D biological macromolecular structure includes proteins, nucleic acids and viruses which obtained by X-Ray crystallography (80%) or NMR spectroscopy (16%)that is submitted by biologists and biochemists from around the world. First set of data were entered on punched cards. Later on it use magnetic tapes.

It is  founded in 1971 by Brookhaven National Laboratory, New York and then transferred to the Research Collaborators for Structural Bioinformatics (RCSB) in 1998. Currently it holds 29,000 released structures. All data are available to the public.

PDB is an important resource for research in the academic, pharmaceutical, and  biotechnology sectors. For examples :-
  • Will this molecule turns into a cancer cell?
  • Can this combination of molecules cure common cold?
  • How does radiation affect the RNA and DNA?

 This is howw it will look like..


PDB is consist of :-
  • PDB data (Information required)
  • Data deposition and validation 
  • Software tools ((Help scientists deposit their results quicker and validate their results)
  • Data query
  • PDB Beta
  • 3D interaction 

PDB is used together with RASMOL..(what is that)



RASMOL is a sophisticated, yet user-friendly, interactive molecular graphics program intended for viewing molecules. proteins, nucleic acids and small molecules. The program reads in the 3-D coordinates for a molecule using the pdb file format and aimed at display, teaching and generation of publication quality images.  

It reads in molecule coordinate file and interactively displays the molecule on the screen in a variety of colour schemes and molecule representations. Currently available representations include depth-cued wireframes, `Dreiding` sticks, spacefilling (CPK) spheres, ball and stick, solid and strand biomolecular ribbons, atom labels and dot surfaces. It displays the molecule in various representations and allows one to rotate the molecule interactively, translated, zoomed and z-clipped (slabbed) interactively using either the mouse, the scroll bars, the command line or an attached dial box.. RasMol-ucb allows simultaneous viewing of multiple molecules. Different parts of the molecule may be represented and coloured independently of the rest of the molecule or displayed in several representations simultaneously.  Alternate conformers and multiple NMR models may be specially coloured and identified in atom labelsAtoms may also be labelled with arbitrary text strings. 

Supported input file formats include Protein Data Bank (PDB), Tripos Associates` Alchemy and Sybyl Mol2 formats, Molecular Design Limited`s (MDL) Mol file format, Minnesota Supercomputer Center`s (MSC) XYZ (XMol) format, CHARMm format, CIF format and mmCIF format files. 

The program is provided as freeware, available for internet downloading, by Roger Sayle at the BioMolecular Structures Group of Glaxo Research & Development (UK). When the program is compiled for use by Microsoft Windows users, it is called RASWIN.   

Here are few example of protein display using RASWIN.
  1. Trypsin
  2. Htr A
  3. Lex A
  4. Clp P
  5. Clp B

TRYPSIN
-a serine protease found in the digestive system of many vertebrates, where it hydrolyses proteins.


Molecule above is a molecule of Pancreatic Trypsin Inhibitor Precursor. This picture is obtained from Raswin software and it is displayed in ball and stick style and coloured in group. These are the description of this molecule:
                                         Classification                        : Proteinase Inhibitor ( Trypsin)
                                         Weight                                 : 6622.57
                                         Polymer                               : 1
                                        Type                                    : Protein
                                         Length                                 : 58
                                         Num. of chains                    : 2
                                         Num. of groups                   : 57 [74]
                                         Num. of atoms                    : 458 [78]
                                        Num. of bonds                    : 476
                                        Scientific Name                   : Bos Taurus
                                       Common Name                   : Cattle
                                       Method Of Experiment        : X-Ray Diffraction

By:
                                       Authors                                                : Wlodawer, A.
                      Deposition                                            : 1987-05-13
                                     Release                                                 : 1987-10-16

                                     Last Modified (REVDAT)               : 2009-02-24


CLP P 
-an enzyme that in humans is encoded by the CLPP gene. It is found in mitochondria and is widely distributed in bacterial species. 


 Molecular above is a molecule of ATP-Dependant Clp Protease Proteolytic Subunit P. This picture is obtain from Raswin software and it is displayed in cartoon style and coloured in group. These are the description of this molecule:
                                                            Classification                     : Hydrolase
                                                            Weight                              : 162599.63
                                                            Polymer                            : 1
                                                           Type                                 : Protein
                                                           Length                              : 201
                                                          Num. of chains                  :21
                                                          Num. of groups                : 1246 [461]
                                                         Num. of atoms                  : 9661 [1090]
                                                         Num. of bonds                  : 10403
                                                         Scientific Name                 : Francisella tularensis subsp. tularensi
                                                        Common Name                                : -
                                                         Method Of Experiment : X-Ray Diffraction

By:
                          Author                 : Kim, Y., Zhou, M., Gu, M., Anderson, W.F., Joachimiak, A., Center for
 Structural Genomics of Infectious Diseases
                                             Deposition             :   2010-10-02
                         Release                  :   2010-10-20


Caseinolytic peptidase B protein homolog (ClpB) 
-an enzyme that in humans is encoded by the CLPB gene which encodes an ATP-dependent protease and
chaperone; it is a chaperone involved in disaggregating proteins and also has a role in de novo protein
synthesis under mild stress conditions.



Molecule above is a molecule of Chaperone Protein ClpB. This picture is obtained from Raswin software
and it is displayed in backbone style and coloured in group. These are the description of this molecule:
                Classification                        : Chaperone
                Weight                                 : 34931.60
                 Polymer                               : 1
               Type                                     : Protein
                Length                                  : 308
               Num. of chains                      : -
              Num. of groups                     : 292
               Num. of atoms                      : 2348
              Num. of bonds                      : 2385
             Scientific Name                     : Thermus thermophilus
            Common Name                      : -
            Method of Experiment           : X-Ray Diffraction


By;
         Authors                                        : Biter, A.B., Lee, S., Sung, N., Tsai, F.T.F.
         Deposition                                    : 2012-05-25
         Release                                        : 2012-07-18
         Last Modified (REVDAT)            : 2012-08-22

Human telomerase RNA (HTR A) 

-HTR-like protein from Haloarcula marismortui. Htr A protein can be portrayed as below. This picture is obtained from RasWin and it is displayed in Ribbon style and colured in Group.

 
The molecule above is named as Sensor Protein. These are the descriptions regarding this molecule.

Classification                           : Transferase

Weight                                     : 60054.17

Polymer                                   : 1

Type                                        : Protein

Length                                      : 126

Num. of chains                        : 12

Num of groups                        : 471 [491]

Num of atoms                          : 4102 [629]

Num. of bonds                        : 4330

Scientific name                        : Haloarcula marismortui atcc 43049  

Common name                        : -

Method of experiment             : X-RAY DIFFRACTION

By:

     Author                                     : Osipiuk, J.,  Zhou, M.,  Freeman, L.,  Joachimiak,                                                             A.,  Midwest Center for Structural Genomics.

Repressor LexA (LexA)

 LexA is a repressor enzyme (EC 3.4.21.88) that represses SOS response genes coding for DNApolymerases required for repairing DNA damage. The picture of Lex A enzyme be portrayed as below. This picture is obtained from RasWin software and it is displayed in Strands style and colured in Group.

 The molecule above is named as Lex A Repressor DNA Binding Domain. Below are the descriptions regarding this enzyme molecule.

Classification                             : Transcription Regulation

Weight                                      : 9214.68

Polymer                                    : 1

Type                                        : protein

Length                                      : 84

Type. of chains                         : A

Num of groups                         : 72

Num of atoms                          : 1141

Num. of bonds                        : 1147

Scientific name                        : Escherichia coli

Common name                        : -

Method of experiment             : SOLUTION NMR

 

By:

          Author                                     : Fogh, R.H.,  Ottleben, G.,  Rueterjans,                                                                                   H.,  Schnarr, M.,  Boelens, R.,  Kaptein, R.

 

Hopefully that you enjoy reading these new knowledeges. ^.^