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> and often don't even capture the molecule pose as it would appear in biology. Mapping between ligands in PDB and cognate ligands as being annotated in UniPro
by jerven 3y ago
> and often don't even capture the molecule pose as it would appear in biology.
Mapping between ligands in PDB and cognate ligands as being annotated in UniProt is improving :) my UniProt curator colleagues are working hard on this. Though a lot was made possible by re-annotating all cognate ligands with ChEBI.
- COGlory 3y agoI just wanted to say that I use UniProt nearly every day and it's an absolutely invaluable resource. Didn't expect to find anyone from UniProt here.
- lchengify 3y agoThank you for your work :). It's been a long time since I used the PDB directly but I remember being frustrated about how essential and sparse it could be. I'm curious about your toolchain. Is it just a community going through and manually annotating, or do you have something that helps pick out obvious things that can be fixed using something computationally predictive? If you have links on the UniProt website I can also just read those. Thanks!