Figure 5.
Structural Analysis of Covalent Fragment-HOIP/dAb Complexes
(A) Structure of compounds.
(B) Covalent complex of compound (1)-RING2-LDD. Electron density (2Fo–Fc) map of the compound is presented in a blue mesh and contoured at 1.2σ.
(C–F) Covalent complexes of compounds (2), (3), (4), and (5) with RBR/dAb3. Electron density (2Fo − Fc) map of compound is presented in a blue mesh and contoured at 0.8σ for compound (2), 0.1σ for compound (3), 1.0σ for compound (4), and 1.6σ for compound (5). Density for the TCO moiety of compound (3) is very weak and was modeled as two alternative conformations.
(G) Overlap of all fragment-bound structures with fragments shown in sticks and HOIP shown in ribbons.
(H) Overlap of all fragment-bound structures with fragments shown in sticks and HOIP shown in surface representation.