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Fig. 5 | Biology Direct

Fig. 5

From: 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 site

Fig. 5

Energetics in duo zinc-binding 3D structures. Analysis of molecular dynamics trajectories generated for the GPAA1Zn1Zn2 model that binds two zinc ions and for 1amp/1f2o. a Binding energies at the five residual sites estimated in the absence and presence of different substrates PEP and SUB2 as compared to reference structures 1amp and 1f2o, respectively. b Structural presentation of the binding regions (transparent cartoon) highlighting the binding site residues of GPAA1Zn1Zn2 (green), 1f2o (orange), and their corresponding substrates PEP (purple sticks) and SUB2 (orange sticks). The nitrogen and oxygen atoms follow the same color scheme as in Fig. 4 with blue and red, respectively. To simplify, hydrogen atoms are not shown. The zinc ions are represented as grey spheres

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Biology Direct

ISSN: 1745-6150

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