Fig. 1: NMR structure of Rpt1 + linker domains of INI1 and molecular modeling of IN binding Rpt1 + linker + Rpt2 fragment.
From: INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication
a Schematic representation of various domains of INI1 and the inhibitory fragment S6 (WHD (in yellow) = Winged Helix DNA binding domain, DBD (in cream) = DNA binding domain; RPT (in red) = Repeat; NES (in turquoise) = Nuclear export signal; HR3 (in blue) = homology region 3; arrows represent repeats). b Superposition of the residues 183-265 of the 20 lowest-energy NMR structures of the INI1 Rpt1+linker fragment. Note the disordered nature of the linker region (aa 250-265, shown in pale pink). The helices are in green and beta-sheet in blue. c A ribbon diagram (in rainbow colors) of a lowest energy representative structure of Rpt1 (aa183–245). d Superimposition of C-alpha atoms of five different structures (6AX5 in pink, 57LA in turquoise, 5L7B in yellow, 5GJK in magenta, 6LTJ in black) showing alignment of the Rpt1 region (aa 183–248); e Ribbon diagram (in rainbow color) of a representative structure of INI1183-304 modeled using Robetta based on the NMR structure 6AX5. PDB file of this model is included in the Supplementary Data 1.
