Fig. 1: Design of 5HCS scaffolds to target convex interfaces on immunoglobulin-like targets.
From: Design of high-affinity binders to immune modulating receptors for cancer immunotherapy
a Convex interfaces on Ig fold immune receptors. Receptors and corresponding partners are shown in purple and green cartoons, respectively. spherical surfaces fitted from interfacial heavy atoms on receptors are shown as blue transparent spheres. i, CTLA-4/CD86 complex, PDB ID: 1I85; ii, TGFβRII/TGFβ−3 complex, PDB ID: 1KTZ; iii, PD-1/PD-L1 complex, PDB ID: 3BIK;iv, TIGIT/CD112 complex, PDB ID: 5V52; v, LAG3/LAG3-antibody complex, PDB ID: 7TZH. b Design workflow. Column 1: 5HCS concave scaffolds with a wide range of curvatures were designed with three helices (blue) forming the concave surfaces (Cbeta labeled as spheres) and two helices (orange) buttressing at the backside. Column 2: Docking of 5HCS scaffolds to target binding sites. Column 3: Following docking, the interface sequencing is optimized for high-affinity binding.
