Figure 3
Results of the structural analyses of the Trastuzumab mutants FWRs and CDRs. (A) Damages in the Vκ-FWR1 β-strands (residues 5–22) subsequently caused conformational changes in the interacting regions and diminished the binding of protein L (Figs S3 and S4). (B) Contact maps of the Fab mutant-Her2 complexes against the Fab WT-Her2 complex showed common interactions (black dots) and WT-only interactions (magenta dots). Vκ-CDR1 and Vκ-CDR3 contacts with Her2 are shown in the boxes. Conformational changes of the Vκ-CDR3 loop with different orientations of Y92WT are shown (exposure is shown in Fig. S5B of Supplementary Materials). The mutants are colored as in (A): WT (black), delT (blue), delE (green) and delTE (red). All models were made using I-TASSER with PDB: 1n8z as template and minimized using AMBER14.
