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Fig. 4 | Biology Direct

Fig. 4

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. 4

Energetics in single zinc-binding 3D structures. Analysis of molecular dynamics trajectories generated for the GPAA1Zn model that binds one zinc ion and for 4fwu/4f9u. a Zn-binding energies at the five canonical sites estimated in the absence and presence of different substrates (PEP and SUB1) as compared to reference structures 4fwu and 4f9u, respectively. b Structural presentation of the binding regions (transparent cartoon) highlighting the binding site residues of GPAA1Zn (green), 4f9u (magenta), and their corresponding substrates PEP (purple sticks) and SUB1 (magenta sticks). For better visualization, nitrogen atoms are shown in blue and oxygen atoms are in red. To simplify, hydrogen atoms are not shown. The Zn ion is represented as a grey sphere

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Biology Direct

ISSN: 1745-6150

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