(for developers or whoever manages the .cif libraries. Is there a separate list?)
PEE has been used (mainly by me) for the natural lipid PE (1,2-Distearoyl-sn-glycero-3-phosphoethanolamine), but the current PEE.cif specifies the wrong chirality about the glycerol C2 atom, giving un-natural sn-glycero-1-phosphoethanolamine. 3PE.cif gives the right chirality, as does 9PE: PEE chir_01 C2 C1 C3 O2 positiv 3PE chir_01 C2 C1 C3 O21 negativ 9PE chir_01 C2 C1 C3 O21 negativ In all three the Phosphate is attached to C1, i.e. the atom names correspond as indicated above. Changing positiv to negativ in PEE.cif fixes it. I didn't choose the 3-letter code, it was assigned by pdb back in 1998. eab
