Fig. 3.

Computational models of MERS-CoV RBD in complex with antibody LCA60. (A and B) Structures of the complex between mAb LCA60 (light green and orange cartoons) and RBD–MERS (white surface) obtained by computational docking. S protein mutants that affect (red) or do not affect (blue) antibody binding are shown. Only model B is consistent with the mutagenesis data. (C) Experimental structure of the complex between CD26 (light blue cartoon) and MERS–RBD [Protein Data Bank (PDB) ID code 4KR0]. (D) Footprint of LCA60 antibody (light green) and CD26 (light blue) on the surface of MERS–RBD (white). Residues in contact with both LCA60 and CD26 are shown in violet.