RHEA and EC mappings: Difference between revisions

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(Created page with "==Personnel== * Chris Mungall * Rebecca Foulger * Rafael Alcántara ? (software engineer at Intenz) ==Aims and Issues== The GO editors are having trouble keeping up with the ...")
 
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==Personnel==


* Chris Mungall
===Plan of Action (2012/2013)===
* Rebecca Foulger
* Rafael Alcántara ? (software engineer at Intenz)


Plan for setting up a pipeline for automatically incorporating curated catalytic reactions from Rhea into GO MF. 1 and 2 can happen simultaneously.


==Aims and Issues==
# Map existing GO catalytic activity terms to Rhea. Will require some text-ming/matching etc. and lots of manual review. Add Rhea xrefs to GO. Submit missing reactions to Rhea.
#; '''Considerations:'''
#* grouping classes won't go into Rhea - will need be handled separately. How do we make axioms for these?
#* do Rhea want to incorporate our reactions?
#* intern to do this?
#; '''Inputs'''
#* http://www.ebi.ac.uk/rhea/download.xhtml
# Design pattern for catalytic reaction xps. Create xps, review and add to GO.
#; '''Considerations:'''
#* bi-directionality of the reactions won't work in OWL. Did we have a solution to this?
# add missing reactions from Rhea to GO. Not sure if we'll want to add all, but certainly everything with an EC.  Rhea is available as BioPax, so we will need to convert to OWL and add reactions names, figure out where they fit in the hierarchy.
#; '''Considerations:'''
#* on what basis we will auto-classify - use EC mechanism as a grouping?
#* naming classes from Rhea - use KEGG?
# Set up a pipeline for importing new reactions from Rhea to GO (upon Rhea release?):
#* pull out new reactions from Rhea
#* convert BioPax to OWL
#* use reasoner to place new classes in GO MF
#* manual check
#* add to live GO
#; '''Considerations:'''
#* interval between imports
#* do we recommend people submit new reactions via Rhea rather than GO?
#* do we also have a TG template for new catalytic reactions?


The GO editors are having trouble keeping up with the EC updates, now that the Enzyme Commission are doing larger and more regular updates to their EC entires. We need a more automated system to keep up with new enzymes and updates to existing enzymes.
===Background on Rhea===
 
 
==Ways To Proceed==
 
===Using Intenz===
 
Jane has been in touch with Paula de Matos (just left ChEBI), who suggested that we use IntEnz as a pipeline initially for EC numbers and in the longer term use Rhea reactions for this. When Rafael Alcántara (Rafa, a software engineer at Intenz) is back, we can discuss how to best use the internal IntEnz-UniProt pipeline.
 
===Using Rhea===


In the Rhea project the curators from the SIB are currently working on several aspects, including improving the coverage of known reactions, as  
In the Rhea project the curators from the SIB are currently working on several aspects, including improving the coverage of known reactions, as  
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However, it might be more efficient if GO just outsources the whole reaction hierarchy to Rhea, and gets everything from Rhea - text definitions, logical definitions, synonyms etc. The GO editors would give Rhea a block of GO IDs and new reaction term requests would go via Rhea. Either way, we would get the ec2go links via go2rhea and rhea2ec
However, it might be more efficient if GO just outsources the whole reaction hierarchy to Rhea, and gets everything from Rhea - text definitions, logical definitions, synonyms etc. The GO editors would give Rhea a block of GO IDs and new reaction term requests would go via Rhea. Either way, we would get the ec2go links via go2rhea and rhea2ec


==Current SOPs for handling enzyme updates and new terms==


===Amelia's Guidelines for New Enzyme Requests===


==Current SOPs for handling enzyme updates and new terms==
http://wiki.geneontology.org/index.php/Curator_Guide:_Enzymes_and_Reactions




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E.g. [http://www.chem.qmul.ac.uk/iubmb/enzyme/EC1/14/13/78.html EC:1.14.13.78]
E.g. [http://www.chem.qmul.ac.uk/iubmb/enzyme/EC1/14/13/78.html EC:1.14.13.78]


 
[http://wiki.geneontology.org/index.php/Curator_Guide:_Enzymes_and_Reactions#Multi-Step_Enzyme_Reactions See Amelia's notes]
===S.O.P for handling deleted EC entries in GO===
 
 
 
 
 
 
==Calls and Meetings==
 
 
 


==Links==
==Links==


*[http://www.chem.qmul.ac.uk/iubmb/enzyme/ Enzyme Commission]
*[https://www.qmul.ac.uk/sbcs/iubmb/enzyme/ Enzyme Commission - IUBMB]
*[http://www.genome.jp/kegg/reaction/ KEGG reactions]
*[https://www.genome.jp/kegg/reaction/ KEGG reactions]
*[http://www.ebi.ac.uk/rhea/ Rhea] Rhea is an EBI manually annotated database of chemical reactions created in collaboration with SIB
*[https://www.rhea-db.org/ Rhea] Rhea is an expert-curated knowledgebase of chemical and transport reactions of biological interest - and the standard for enzyme and transporter annotation in UniProtKB.
*[http://www.ebi.ac.uk/intenz/ Intenz] Intenz (Integrated relational Enzyme database) is a resource focused on enzyme nomenclature, created in collaboration with SIB.
*[https://www.ebi.ac.uk/intenz/ Intenz] IntEnz (Integrated relational Enzyme database) is a freely available resource focused on enzyme nomenclature. IntEnz is created in collaboration with the Swiss Institute of Bioinformatics (SIB). This collaboration is responsible for the production of the [https://enzyme.expasy.org/ ENZYME] resource.  
*[http://metacyc.org/ MetaCyc]
*[https://metacyc.org/ MetaCyc]





Revision as of 09:57, 25 June 2021

Plan of Action (2012/2013)

Plan for setting up a pipeline for automatically incorporating curated catalytic reactions from Rhea into GO MF. 1 and 2 can happen simultaneously.

  1. Map existing GO catalytic activity terms to Rhea. Will require some text-ming/matching etc. and lots of manual review. Add Rhea xrefs to GO. Submit missing reactions to Rhea.
    Considerations:
    • grouping classes won't go into Rhea - will need be handled separately. How do we make axioms for these?
    • do Rhea want to incorporate our reactions?
    • intern to do this?
    Inputs
  2. Design pattern for catalytic reaction xps. Create xps, review and add to GO.
    Considerations:
    • bi-directionality of the reactions won't work in OWL. Did we have a solution to this?
  3. add missing reactions from Rhea to GO. Not sure if we'll want to add all, but certainly everything with an EC. Rhea is available as BioPax, so we will need to convert to OWL and add reactions names, figure out where they fit in the hierarchy.
    Considerations:
    • on what basis we will auto-classify - use EC mechanism as a grouping?
    • naming classes from Rhea - use KEGG?
  4. Set up a pipeline for importing new reactions from Rhea to GO (upon Rhea release?):
    • pull out new reactions from Rhea
    • convert BioPax to OWL
    • use reasoner to place new classes in GO MF
    • manual check
    • add to live GO
    Considerations:
    • interval between imports
    • do we recommend people submit new reactions via Rhea rather than GO?
    • do we also have a TG template for new catalytic reactions?

Background on Rhea

In the Rhea project the curators from the SIB are currently working on several aspects, including improving the coverage of known reactions, as well as improving the handling and representation of reactions including polymers and macromolecules, in collaboration with colleagues from ChEBI. The main focus at the current time is really improving the coverage of Rhea (chemically balanced reactions), with a view to promoting its use as a resource for metabolic network reconstruction (e.g. Microme, MetaNetX projects) and as a source of reaction descriptions for UniProt.

Rhea can be used as a source for automation of some of the GO--ChEBI cross-products. It confers the benefit of a more sophisticated representation of chemical roles in reactions than just "input" and "output".

However, it might be more efficient if GO just outsources the whole reaction hierarchy to Rhea, and gets everything from Rhea - text definitions, logical definitions, synonyms etc. The GO editors would give Rhea a block of GO IDs and new reaction term requests would go via Rhea. Either way, we would get the ec2go links via go2rhea and rhea2ec

Current SOPs for handling enzyme updates and new terms

Amelia's Guidelines for New Enzyme Requests

http://wiki.geneontology.org/index.php/Curator_Guide:_Enzymes_and_Reactions


S.O.P for multi-step enzyme reactions

E.g. EC:1.14.13.78

See Amelia's notes

Links

  • Enzyme Commission - IUBMB
  • KEGG reactions
  • Rhea Rhea is an expert-curated knowledgebase of chemical and transport reactions of biological interest - and the standard for enzyme and transporter annotation in UniProtKB.
  • Intenz IntEnz (Integrated relational Enzyme database) is a freely available resource focused on enzyme nomenclature. IntEnz is created in collaboration with the Swiss Institute of Bioinformatics (SIB). This collaboration is responsible for the production of the ENZYME resource.
  • MetaCyc