Fig. 2: Norclomipramine binding site overlaps with Ub exosite.
From: Structure-based design of potent and selective inhibitors of the HECT ligase NEDD4
A Superposition of the HECT of NEDD4 in complex with Norclomipramine (Norc) or ubiquitin (Ub) in the exosite (from PBD 2XBB). The HECT of NEDD4 is depicted in surface representation, with N-lobe in blue and C-lobe in green. Norclomipramine, in yellow sticks, sits on a hydrophobic pocket which is also exploited by the C-terminal tail of Ub (gold ribbon representation, from PBD 2XBB). B Close-up view of HECTNEDD4:ubiquitin interaction (PBD 2XBB, N-lobe in blue, Ub in yellow). C Close-up view of HECTNEDD4:Norclomipramine interaction (PBD 9H9O, N-lobe in blue, Norclomipramine, in yellow sticks).
