Fig. 4: Co-crystal structure of MS3-6 bound to the STAT3.

a Cartoon representation of the structure of STAT3 (light gray) and monobody MS3-6 (blue). The upper panel shows an overview of MS3-6 binding to the coiled-coil domain of STAT3, with key residues of the nuclear localization sequence (NLS) in close proximity to the monobody binding site highlighted in red. The lower panel shows a magnification of the binding interface with epitope residues (threshold set at 4 Å) depicted as sticks. b Surface representation of STAT3 (light gray), with the area covered by the monobody colored in blue. c Structural alignment of the coiled-coil domains of STAT3 in complex with MS3-6 together with an unbound STAT3 structure previously published (PDB: 4E68, light brown). Monobody binding leads to a conformational distortion of the helixes α1 and α2. The angles formed between helices are indicated in green and red, respectively.