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. 2022 Dec 23;3(1):204–215. doi: 10.1021/jacsau.2c00592

Figure 2.

Figure 2

3D structure of Siglec-8 in complex with 2C4 Fab. (A) Crystal structure of Siglec-8 in complex with 2C4 Fab. 2C4 Fab (HC in orange and LC in yellow) binds to the V-domain of Siglec-8 (in purple). The conserved R residue on Siglec-8 that forms the salt bridge with the carboxylate C1 of the sialic acid moiety is represented with a red sphere. 2C4 interacts with the N-terminal and the B′-C loop at the V domain. (B) Interactions of the HC from 2C4 (orange) with the Siglec-8 V domain are mediated by the three HCDRs. (C) Interactions of the LC from 2C4 (yellow) with the Siglec-8 V domain are mediated by LCDRs 1 and 3. (D) 1H STD-NMR experiment for the complex formed by 3′SLN and Siglec-8d1d3 pre-complexed with 2C4 Fab (1:40 molar ratio). Top: the reference spectrum (black, off-resonance). Bottom: the STD-NMR spectrum (blue, on-resonance at the aliphatic region). The 1H NMR signals showing the STD effect are annotated. The epitope mapping (relative STD) is shown in the ligand structure.