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Figure 6
The profiles of six sites located on the surface of HSP90N and their representative binding fragments are presented. (a) A close-up demonstration of the interaction between fragment Fr12938 and site 3 reveals a direct hydrogen bond to Phe213 and a water-mediated hydrogen bond to Ser211. (b) Fragment Fr14229, bound to site 4, forms a direct hydrogen bond to Ile218 and water-mediated hydrogen bonds to Ile214 and Ser211. (c) At site 5, fragment Fr13430 interacts with Asn79 through direct hydrogen bonding and with His77 via water-mediated hydrogen bonding. (d) At site 6, the primary interaction is hydrophobic rather than hydrogen bonding between the fragment and the amino acids. (e) Fragment Fr13229, when combined with site 7, results in a hydrogen-bond interaction with Ser169 and water-mediated hydrogen-bond interactions with Phe22 and Gly168. (f) Fragment Fr12961 binds to site 8 without significant interaction. (Hydrogen bonds are indicated by black dashed lines and small red dots represent water molecules.)

IUCrJ
Volume 12| Part 2| March 2025|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524012247