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Figure 3
Detailed interactions of AG7404 within the hRV-B14 3C protease. (A) Surface representation of the substrate-binding site of hRV-B14 3C protease displays the S1, S2, S3 and S4 pockets. AG7404 is represented as a cyan stick model, with catalytic residues (Cys146, His40 and Glu71) labeled. Secondary-structural elements forming the substrate-binding pockets (S1′, S1, S2, S3 and S4) are annotated. (B), (C), (D), (E) Enlarged views of the P1′, P1, P2 and P3–P4 moieties are presented, respectively. Residues and water molecules that directly interact with AG7404 (cyan) are labeled in red. Residues and water molecules participating in the hydrogen-bond network via water molecules, without interacting with AG7404, are marked in black.

IUCrJ
Volume 13| Part 1| January 2026| Pages 19-30
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525008929