Embrapa/Cenargen
Biotechnology/BioInformatics
BrazilianBioNet (BBNet)/BBRC
Goran Neshich Laboratory
&
Columbia University
Department of Biochemistry
and Molecular Biophysics
Barry Honig Lab

describes for you

STING : PDB_Viewer

V 2.1

by

Roberto Togawa, Wellington Vilella & Goran Neshich
&
Barry Honig
Key Words: PDB-Viewer, Molecular Structure, Graphics, Visualization, Sequence to Graphics, Interface, Didactic Tool
STING can be accessed from the following servers:

Brazil http://www.cbi.cnptia.embrapa.br/
Brazil http://asparagin.cenargen.embrapa.br/SMS/
USA http://trantor.bioc.columbia.edu/SMS/
USA http://mirrors.rcsb.org/SMS/
Spain http://www.es.embnet.org/SMS/
Argentina http://www.ar.embnet.org/SMS/
Japan http://gibk26.bse.kyutech.ac.jp/SMS/


STING User Guide

This guide explains how to use STING (Sequence To and withIN Graphics) tool , that was created at Cenargen/Embrapa BioInformatics, BBNet, Goran Neshich's

laboratory and Columbia University, Barry Honig's Laboratory.


An Overview of STING

What is STING?
Sequence to Graphics & Graphics to Sequence Easy Link
Searching for the right PDB file
Browse and find Local PDB-format files
Links to important Databases and servers
Supported Platforms
Supported Input Formats
Instructions for downloading STING
Using STING as a Web/MIME Helper Application
Known bugs

Unique STING Features

What you can do with STING:
STINGpaint - our tool for SEQUENCE coloring

STING short tutorial

STING: Charge complementarity on molecular interfaces
STING: Protein/DNA Interface and Structural Waters
STING: Ligand Pocket and Coordinating Residues
STING: Enzyme/Inhibitor Interface and Structural Waters

PC ONLY features are written in this way: within yellow box!


What is STING

STING is a PDB Viewer and Interactive WWW TOOL with emphasis on bi-directional coupling of sequence and 3D information. STING offers a simple and easy way to map single amino acid letter code information in a sequence to its position in 3D and vice versa!

Special attention in STING is given to MacroMolecular INTERFACE analysis.


STING's Sequence to Graphics & Graphics to Sequence Easy Link


STING shows the sequence and maps the locations of sequence residues or residue ranges onto the 3D structure.

Sequence and Graphics frames are interconnected so that the user can have control of both types of information; With only one stroke ("click" ) on the chosen sequence residue, a user of the STING PDB Viewer can get a visual presentation of the 3D position of that residue within the Macromolecular 3D structure!

A user can search the Graphics Frame and ask questions such as: which residue is at a particular spot pointed by the mouse within a 3D frame?

The user can place the mouse over a single letter code in the Sequence Frame and ask question such as: where in the 3D fold is this residue placed?

In addition, the user has a complete information about a sequence: numbering, gaps and also PDB defined secondary structure regions [Helices (red lines below the sequence) and Extended Sheets (blue lines below sequence)].

Browse and find Local PDB-format files

The user can search for the right PDB file by using 3DB Browser. In this case search is done on BNL/PDB.
Note: the user should realize that search on BNL/PDB will also offer "Sting It" option once right file is found. If that option is used, the BNL/PDB copy of that file is accessed.

Alternatively, after using 3DB Browser, the user can come back to its local site and simply type in 4 letter code of the right PDB file into the "PDB Code from local copy of entire PDB:" field and press "Enter" key on the keyboard. This will significantly speed up STING presentation, as PDB file will be accessed on local server.

The user can also browse local directories and search for the any PDB format file.

If the user knows exact path and file name, this path and file name should be entered into:"Local PDB file Name:" field, and then press "Sting It" button below that same field.

If user does not know exact path and/or file name, "Browse" button should be pressed and file name should be found. Once Browse option is completed, the user is expected to press "Sting It" button just below the "Browse" button. New browser will be opened and STING will display content of that particular file.

Important Note for PC users: If the user wants to reload LOCAL file, or the user resizes the browser, STING will show netscape error msg. We are working on this bug now. However, the user can explore all STING features and analyse local files in all but this case!reload LOCAL file, or the user resizes the browser, STING will show netscape error msg. We are working on this bug now. However, the user can explore all STING features and analyse local files in all but this case! SGI version of the STING is working without any problems within the frame.

STING's Working Area Frames

The STING PDB Viewer has 4 frames: The Working area of the browser is divided into
upper left: a Graphics Frame,
upper right: Links and specific Chime script commands (STING's Control Frame), and
middle right: PDB Info Frame with information on chains, ligands, ions and water molecules present in the PDB entry
lower frame: Sequence Frame which contains the linear protein sequence color coded with respect to Hydrophobicity and charged groups!

The Sequence Frame also shows numbering of the residues in the sequence, gaps in the PDB sequence, chain identifier and secondary structure elements identifier. Each residue in the Sequence Frame is "clickable", resulting in CPK presentation of its position in 3D in the Graphics Frame. Blue and Red lines below the sequence are also "clickable" resulting in graphical RIBBON presentation of the specified sequence region!

STING's Status Frame is the browser's link-indicating area at the lower browser border. The user can see sequence complete identification while sliding the mouse over the sequence in the STING's Sequence Frame, or while clicking the mouse's left button over atoms in STING's Graphics frame.

STING's Control Frame has a number of pre-defined CHIME Scripts to be executed after pressing a button of choice; One can easily:
**color code all charged residues,
**color code chains,
**select and display the ligand and only water molecules in vicinity of the ligand;
**select and display ligand pocket (residues within 2 Angstroms from the ligand) and finally,
**display (again using a single stroke = click on the button) the interface between two chains!

Known bugs:

This software is under continuous development and we expect bugs to be found...Please contact us if you find any problem!

  • At this moment, we do know that if you have more than one browser open with STING (or other CHIME application), not always STING scripts will be executed! Please use only one application with CHIME running for proper STING script execution!
  • Reloading LOCAL file (other than files from local copy of the entire PDB, which are stored in the /pdb directory), or resizing the browser when Local files are analyzed by STING, will produce netscape error msg. We are working on this bug now.

  • PC ONLY: When the user starts with the STING entry page (where the options for the right PDB file are posted to be filled in) and opts to use:
    "Protein Data Bank 3DB Browser", then follows search options and finally opts for the "Sting It" button on the 3DB Browser page, STING will attempt to open in the frame, rather than on separate browser window. This in turn, will couse STING scripts not to function properly. Avoid that sequence of events, and all will be functioning properly. We are working on procedure that will always open a new browser for STING. SGI version works fine within the frame!

  • Note: The user should check the content of the /tmp directory on STING server side and remove all reminiscent files created by STING. We are working on procedure to automatize this process.