Fig. 3: Complex structures of A138 Fab and A129 Fab bound to M1R.
A Overall structure of antibodies in complex with M1R. MPXV M1R or VACV L1R is colored in cornflower blue; Fab of A138, M12B9, 7D11 and A129 is shown in green, brown, pink and golden, respectively. The heavy chain is shown in a darker color, and all the complex structures are positioned with M1R/L1R in the same orientation. B A129 mainly uses its heavy chain to bind the β-sheet of M1R. The buried surface area (BSA) between the A129 heavy chain and M1R is 431 Å2 while that of the light chain is 192 Å2. The β-sheet of M1R is shown in red and the loops connecting β-strands with helices are shown in green. The epitope of A129 on M1R is labeled by a golden line. C A138 mainly uses its heavy chain to bind to the loops connecting β-strands and helices of M1R. The buried surface area (BSA) between A129 heavy chain and M1R is 540 Å2 while that of the light chain is 258 Å2. The β-sheet of M1R is shown in red and the loops connecting β-strands with helices are shown in green. The epitope of A129 on M1R is labeled by a green line. D Sequence and secondary structures of M1R. Contacting residues in M1R for A129 and A138 are indicated by golden and green dots, respectively.
