Fig. 2From: Structural modelling of the lumenal domain of human GPAA1, the metallo-peptide synthetase subunit of the transamidase complex, reveals zinc-binding mode and two flaps surrounding the active siteThe model substrate for GPAA1 imitating a peptide bond between the ω-site and the ethanolamine. We show the structure of the tentative peptide (PEP: di-alanine ethylamine) together with its parameterization. The PEP is coordinated to one Zn via the carbonyl oxygen of the second alanine residue. The mimicked peptide bond formed between the ω-site and the phosphor-ethanolamine moiety is shown by a black arrow (compare also with Figure 2 in reference [23]). For clarity, hydrogen atoms are hidden, and partial charges are shown only for the heavy atomsBack to article page