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Mutations and modifications reported for all entities #12

Closed knaegle closed 1 year ago

knaegle commented 1 year ago

Description

In update that now has individual entities for a PDB on a line of the CSV file, the mutations and modifications have been accumulated across all entities and are reported as the same across all entity lines. This is not good as it will be very difficult to disentangle the mutations and modifications according to their entities later on.

Screenshots

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2OQ1 | 1 | Tyrosine-protein kinase ZAP-70 | A | UniProt | ZAP70; SRK | P43403 | DPAAHLPFFYGSISRAEAEEHLKLAG(MSE)ADGLFLLRQCLRSLGGYVLSLVHDVRFHHFPIERQLNGTYAIAGGKAHCGPAELCEFYSRDPDGLPCNLRKPCNRPSGLEPQPGVFDCLRDA(MSE)VRDYVRQTWKLEGEALEQAIISQAPQVEKLIATTAHER(MSE)PWYHSSLTREEAERKLYSGAQTDGKFLLRPRKEQGTYALSLIYGKTVYHYLISQDKAGKYCIPEGTKFDTLWQLVEYLKLKADGLIYCLKEACPN | MPDPAAHLPFFYGSISRAEAEEHLKLAGMADGLFLLRQCLRSLGGYVLSLVHDVRFHHFPIERQLNGTYAIAGGKAHCGPAELCEFYSRDPDGLPCNLRKPCNRPSGLEPQPGVFDCLRDAMVRDYVRQTWKLEGEALEQAIISQAPQVEKLIATTAHERMPWYHSSLTREEAERKLYSGAQTDGKFLLRPRKEQGTYALSLIYGKTVYHYLISQDKAGKYCIPEGTKFDTLWQLVEYLKLKADGLIYCLKEACPNSSASNASGAAAPTLPAHPSTLTHPQRRIDTLNSDGYTPEPARITSPDKPRPMPMDTSVYESPYSDPEELKDKKLFLKRDNLLIADIELGCGNFGSVRQGVYRMRKKQIDVAIKVLKQGTEKADTEEMMREAQIMHQLDNPYIVRLIGVCQAEALMLVMEMAGGGPLHKFLVGKREEIPVSNVAELLHQVSMGMKYLEEKNFVHRDLAARNVLLVNRHYAKISDFGLSKALGADDSYYTARSAGKWPLKWYAPECINFRKFSSRSDVWSYGVTMWEALSYGQKPYKKMKGPEVMAFIEQGKRMECPPECPPELYALMSDCWIYKWEDRPDFLTVEQRMRACYYSLASKVEGPPGSTQKAEAACA | 254 | Protein | polypeptide(L) | 31.63 | X-ray | 1.9 | DPAAHLPFFYGSISRAEAEEHLKLAGMADGLFLLRQCLRSLGGYVLSLVHDVRFHHFPIERQLNGTYAIAGGKAHCGPAELCEFYSRDPDGLPCNLRKPCNRPSGLEPQPGVFDCLRDAMVRDYVRQTWKLEGEALEQAIISQAPQVEKLIATTAHERMPWYHSSLTREEAERKLYSGAQTDGKFLLRPRKEQGTYALSLIYGKTVYHYLISQDKAGKYCIPEGTKFDTLWQLVEYLKLKADGLIYCLKEACPN | 1 | 3 | 254 | Homo sapiens | Y | 3 | N/A | N/A | 27; 120; 159 | MSE-27; MSE-120; MSE-159 | 1/30/07 | Hatada, M.H., Laird, E.R., Green, J., Morgenstern, J., Ram, M.K. | Molecular basis for the interaction of ZAP-70 with the T-cell receptor | 10.1038/377032a0 | 7659156 |   |   |   |   |   |   |   -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- | -- 2OQ1 | 2 | T-cell surface glycoprotein CD3 zeta chain | B | UniProt | not found | P20963 | NQL(PTR)NELNLGRREE(PTR)DVLD | MKWKALFTAAILQAQLPITEAQSFGLLDPKLCYLLDGILFIYGVILTALFLRVKFSRSADAPAYQQGQNQLYNELNLGRREEYDVLDKRRGRDPEMGGKPQRRKNPQEGLYNELQKDKMAEAYSEIGMKGERRRGKGHDGLYQGLSTATKDTYDALHMQALPPR | 19 | Protein | polypeptide(L) | 31.63 | X-ray | 1.9 | NQLYNELNLGRREEYDVLD | 1 | 69 | 19 | not found | Y | 2 | N/A | N/A | 27; 120; 159 | MSE-27; MSE-120; MSE-159 | 1/30/07 | Hatada, M.H., Laird, E.R., Green, J., Morgenstern, J., Ram, M.K. | Molecular basis for the interaction of ZAP-70 with the T-cell receptor | 10.1038/377032a0 | 7659156 |   |   |   |   |   |   |  

Files

See above example produced by PDB ID '2OQ1'

Expected behavior

Want the modification and the mutation to be listed only for the entity on that line.

Tasks