Fig. 3
Structural basis of the high-affinity binding of DI-591 to DCN1. a Co-crystal structure of DCN1 (gray) complexed with DI-591 (green). DCN1 residues interacting with DI-591 are shown as sticks with carbon atoms in gray, nitrogen atoms in blue, oxygen atoms in red and sulfur atoms in yellow. Hydrogen bonds are shown as dashed lines. b The stereo image of electron density map calculated prior to including DI-591 in the structural refinement is shown as a gray grid contoured at 3σ. c Overlay of DCN1 (gray)–DI-591 (green) complex structure with DCN1 (light cyan)–UBC12 peptide complex structure (dark cyan) (PDB ID: 3TDU). Sidechains of residues F109 and F117 from the DCN1–UBC12 structure are shown as cyan sticks. These residues change their conformations upon DI-591 binding
