Hi folks I’ve noticed that for some structures, the PDB file seems to have the mmCIF entry for the “_atom_site.label_asym_id” as the chain ID, and for other PDB files it has the “_atom_site.label_entity_id”.
e.g. for 4bpq, for ATOM 1 I see - > CIF: ATOM 1 N N . UNK A 1 1 ? 14.187 19.549 -8.010 1.00 0.00 ? 1 > UNK A N 1 > > PDB: ATOM 1 N UNK A 1 14.187 19.549 -8.010 1.00 0.00 > N > but for 6p9o for ATOM 1 I see - > CIF: ATOM 1 N N . ARG A 1 64 ? -0.538 27.658 131.675 1.00 39.97 ? 64 ARG 1 N > 1 64 UNP P03300 643 R > > PDB: ATOM 1 N ARG 1 64 -0.538 27.658 131.675 1.00 39.97 > N both have the corresponding loop items in the same order loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id so it shouldn’t be that the items are in a different order (which I think is allowed in STAR formats). Any ideas which one is right? Or are they both right? Or both wrong? Or am I wrong about this, and have just mis-read the entries? (the refinement program for 6p9o is given as both REFMAC and “PHENIX” in the CIF - presumably phenix.refine, but I wouldn’t bet my house on it). Harry ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
