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Support for residue mapping from UniProt to PDB structure? #943

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nabinchaulagain opened this issue Oct 11, 2022 · 1 comment
Open

Support for residue mapping from UniProt to PDB structure? #943

nabinchaulagain opened this issue Oct 11, 2022 · 1 comment

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@nabinchaulagain
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nabinchaulagain commented Oct 11, 2022

Is there any support for residue mapping from a sequence of a isoform on UniProt to a PDB structure?

I currently need it for a feature where I need to color parts of structure based on a feature where the user is allowed to color a certain range of sequences from uniprot.

@nabinchaulagain nabinchaulagain changed the title Support for residue mapping from uniprot to PDB structure? Support for residue mapping from UniProt to PDB structure? Oct 11, 2022
@fredludlow
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For the case where you're looking at a public structure from the 'actual PDB', the uniprot mappings are available in lots of places (I think SIFTs is the canonical mapping), including in the mmCIF file itself: https://www.ebi.ac.uk/pdbe/news/sifts-data-now-included-pdbe-mmcif-files

A nice addition would be if NGL picked this up (in its parsing of the mmCIF file).

For the general case of "some protein file" (e.g. not necessarily public and without annotations) you might need to run a quick blastp vs some likely subset of uniprot (e.g. human proteome if you're mainly dealing with human structures) and manage the mapping yourself.

@fredludlow fredludlow reopened this Mar 2, 2023
@fredludlow fredludlow added enhancement good first issue A good issue for a first pull request and removed good first issue A good issue for a first pull request labels Mar 2, 2023
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