Support for the Protein Circular Dichroism Data Bank and the Dichroweb Analysis Server

Lead Research Organisation: Birkbeck, University of London
Department Name: Biological Sciences

Abstract

Circular Dichroism (CD) spectroscopy is an established and valuable technique for examining protein structure, dynamics, and folding, and is regularly used as a standard method in a large number of UK biological and chemical laboratories. This is a proposal to create a comprehensive electronic archiving and analysis resource for CD spectroscopy that can be used by the structural biology and bioinformatics communities. It will include the running, curation and development of the Protein Circular Dichroism Data Bank (PCDDB), a deposition and searchable data bank for circular dichroism spectra of biomacromolecules. The PCDDB will be a resource for structural molecular biology and bioinformatics, and a public archive for data sharing of spectroscopic data to parallel the Protein Data Bank (PDB), a long-existing and valuable reference data bank for protein crystal and NMR data. This project also includes the operation, upgrading and maintenance of DICHROWEB, a widely-used user-friendly online server for the analysis of circular dichroism data. Together these two bioinformatics facilities will provide a comprehensive package of enabling and supportive resources in CD spectroscopy for the Structural Biology and Bioinformatics communities.

Technical Summary

Circular Dichroism (CD) spectroscopy is an established and valuable technique for examining protein structure, dynamics, and folding, and is regularly used as a fundemental method in a large number of biological and chemical laboratories. This is a proposal to create, curate and maintain a comprehensive electronic archiving and analysis resource for CD spectroscopy that can be used by the academic and industrial structural biology and bioinformatics communities. It will include the running, curation and development of the Protein Circular Dichroism Data Bank (PCDDB), a deposition and searchable data bank for circular dichroism spectra of biomacromolecules. The aim of this data bank is to provide open access and public archiving facilities for circular dichroism spectral data. This project also will include the development of a suite of support tools, such as validation software (which will have benefit for both ensuring the quality of data in the data bank and establishing standards for spectroscopic data used by the academic and industrial structural biology communities, and will be developed as both a deposition-linked online resource and a standalone downloadable version) and spectral matching tools for identification of similar/related spectra and extraction of structural information. This project also includes the upgrading, maintenance and continued operation of DICHROWEB, a widely-used user-friendly online server for the analysis of circular dichroism data. Together these two bioinformatics facilities will provide a comprehensive package of enabling and supportive resources in CD spectroscopy for the structural biology and bioinformatics communities.
 
Description developed bioinformatics tools for structural analysis
Exploitation Route use of tools
Sectors Agriculture, Food and Drink,Education,Pharmaceuticals and Medical Biotechnology

 
Description bioinformatics tools developed are in use by industry
First Year Of Impact 2009
Sector Agriculture, Food and Drink,Education,Pharmaceuticals and Medical Biotechnology
 
Description Validichro Software
Amount £145,661 (GBP)
Funding ID BB/G023476 
Organisation Biotechnology and Biological Sciences Research Council (BBSRC) 
Sector Public
Country United Kingdom
Start 07/2009 
End 12/2010
 
Title new software tools for CD analyses 
Description software and websites and you tube videos about new infrastructure tools developed for CD spectroscopy and structural biology 
Type Of Material Improvements to research infrastructure 
Year Produced 2018 
Provided To Others? Yes  
Impact ongoing development of many new tools for bioinformatics and structural biology resources widespread usage of tools both in the UK and internationally 
 
Title The SP175 reference Data Set 
Description Data Set of Reference CD spectra of proteins deposited in the Protein Circular Dichroism Data Bank. protein circular dichoism data bank http://pcddb.cryst.bbk.ac.uk/home.php 
Type Of Material Database/Collection of data 
Year Produced 2009 
Provided To Others? No  
Impact No actual impacts realised to date 
URL http://pcddb.cryst.bbk.ac.uk/home.php
 
Description Running training workshops for students, postdocs and industrial scientists on CD spectroscopy 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Postgraduate students
Results and Impact Teaching Lectures and Practicals in multi-day workshops to provide new skills training and ideas and information for researchers both nationally and internationally
Year(s) Of Engagement Activity Pre-2006,2006,2007,2008,2009,2010,2011,2012,2013,2014,2015,2016,2017,2018
 
Description Teaching workshops for students, faculty and industrial scientists 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Postgraduate students
Results and Impact A series of workshops on methods of analysis for CD spectroscopy given at national and international meetings and workshops, usually 2-3 days, including hands-on computing practicals. for phd and masters students, postdocs, professors and other academics and industry
Year(s) Of Engagement Activity 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018
 
Description annual talks for the public 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Public/other audiences
Results and Impact UCL Science Centre Friday Evening Discourses and Birkbeck SET Talks for the Public talks on science for the public (5th, 6th form, and public) annually and lecture/tour at the Wellcome Collection talks

no actual impacts realised to date
Year(s) Of Engagement Activity 2006,2007,2008,2009,2010,2011,2012,2013,2014,2015,2016,2017,2018,2019,2020