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.
Publications
Wallace Bonnie A.
(2020)
Tools and Resources for Circular Dichroism Spectroscopy
in BIOPHYSICAL JOURNAL
Miles AJ
(2021)
Tools and methods for circular dichroism spectroscopy of proteins: a tutorial review.
in Chemical Society reviews
Wallace BA
(2019)
The role of circular dichroism spectroscopy in the era of integrative structural biology.
in Current opinion in structural biology
Sait LG
(2020)
Cannabidiol interactions with voltage-gated sodium channels.
in eLife
Ramalli SG
(2022)
The PCDDB (Protein Circular Dichroism Data Bank): A Bioinformatics Resource for Protein Characterisations and Methods Development.
in Journal of molecular biology
Powl AM
(2010)
Synchrotron radiation circular dichroism spectroscopy-defined structure of the C-terminal domain of NaChBac and its role in channel assembly.
in Proceedings of the National Academy of Sciences of the United States of America
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 | 06/2009 |
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 |