Re: [ccp4bb] choosing an NMR structure from PDB

2023-05-03 Thread Harry Powell
Hi folks many thanks for the replies - all very helpful. I can see that my example of P01132 might have been taken as a protein that I have a real current interest in - unfortunately, it isn’t (pace! to anyone who is working on malaria), it was just the first example I found that had no struc

Re: [ccp4bb] choosing an NMR structure from PDB

2023-05-03 Thread David Armstrong
Hi Harry, A useful starting point when looking for the 'best' [insert criteria here] structure in the PDB for a specific protein is to visit the PDBe-KB aggregated views pages (https://pdbekb.org). These pages group PDB data based upon UniProt accession and the 'structures' tab on these pages

Re: [ccp4bb] choosing an NMR structure from PDB

2023-05-03 Thread Randy John Read
Hi Harry, My advice would be to use one of those new-fangled predicted models. You can find a model in the AlphaFold database at the EBI (https://alphafold.ebi.ac.uk/entry/P01132). If you look at it, there are parts (likely corresponding to the constructs that were crystallised) that look conf

Re: [ccp4bb] choosing an NMR structure from PDB

2023-05-03 Thread Gary Thompson
behalf of Harry Powell <193323b1e616-dmarc-requ...@jiscmail.ac.uk> Date: Wednesday, 3 May 2023 at 11:45 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] choosing an NMR structure from PDB CAUTION: This email originated from outside of the organisation. Do not click links or open attachment

[ccp4bb] choosing an NMR structure from PDB

2023-05-03 Thread Harry Powell
Hi folks I was wondering. If there is a UniProt entry (for example, P01132, but there are plenty of others) for which I want the “best” (whatever that might mean) representative _experimental_ structure (i.e. not one of these new-fangled predicted models that some folk say have removed the nee