Extended Data Fig. 4: Structural analysis of two humanized 2B04 variants with distinct binding affinities. | Nature Machine Intelligence

Extended Data Fig. 4: Structural analysis of two humanized 2B04 variants with distinct binding affinities.

From: An adaptive autoregressive diffusion approach to design active humanized antibodies and nanobodies

Extended Data Fig. 4

a, The blue cartoon structure represents hAb1.4, which exhibits a binding affinity of 1.03 nM, whereas the green cartoon structure represents hAb1.5, with a binding affinity of 6.37 nM. In hAb1.4, no steric hindrance is observed between residues VAL78 and LEU29. By contrast, in hAb1.5, the bulkier phenyl ring of residue PHE78 induces steric repulsion with LEU29, resulting in a conformational change in CDR1.

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