Design, Synthesis and Structure-Activity Relationship Studies of Novel Survivin Inhibitors with Potent Anti-Proliferative Properties
Fig 11
Potential binding pose of UC-112 and compound 4g in the SMAC N-terminus tetra-peptide AVPI binding site of survivin crystal structure (PDB entry: 3UIH).
The surface of AVPI binding site in survivin was colored according to residue charge (blue for positive while red for negative). (a) UC-112 (green tube) formed hydrogen bonds with residue Asp71 and Glu68 on the survivin protein BIR domain. (b) Compound 4g (orange tube) displayed similar binding pose with UC-112 but had better occupied the grove toward the N-terminus of survivin protein. And this pose was overlapping well with the binding mode of native ligand, SMAC AVPI (green stick).