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. 2021 Aug 9;16(8):1587–1599. doi: 10.1021/acschembio.1c00484

Figure 3.

Figure 3

Reaction series for Cryptococcus neoformans Acs1. (A) Structure of Cryptococcus neoformans Acs1 (PDB 5PVP, chain A, Apo). (B) Cryptococcus neoformans Acs1 bound to ATP (PDB 5K8F, chain A, AD-conf); (C) bound to acetyl-AMP, adenylating conformation (PDB 74LG, chain B, AD-conf); (D) bound to acetyl-AMP (PDB 74LG, chain C, TE-conf); and (E) bound to propyl-AMP and coenzyme A, thioesterification conformation (PDB 5K85, chain C, TE-conf). Protein model with table for NTD and CTD start residues of other fungal Acs1 proteins. N-terminal domain (NTD, orange), C-terminal domain (CTD, dark red), N-terminal extension (NT-Ext, olive green), hinge (cyan), ATP binding loop (chartreuse), Lys640 in A (blue), potassium (purple), and ligand (yellow).