Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor–ligand complex

Andersen, J.L.; Schrøder, T.J.; Christensen, S.; Strandbygård, D.; Pallesen, L.T.; García-Alai, M.M.; Lindberg, S.; Langgård, M.; Eskildsen, J.C.; David, L.; Tagmose, L.; Simonsen, K.B.; Maltas, P.J.; Rønn, L.C.B.; de Jong, I.E.M.; Malik, I.J.; Egebjerg, J.; Karlsson, J.-J.; Uppalanchi, S.; Sakumudi, D.R.; Eradi, P.; Watson, S.P.; Thirup, S.

doi:10.1107/S1399004713030149

Acta Crystallographica Section D
Acta Crystallographica
Section D BIOLOGICAL CRYSTALLOGRAPHY

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Figure 6
(a) The hydrophobic leucine-binding pocket. Sortilin is represented as a surface and is coloured according to atom type (C, N and O atoms in grey, blue and red, respectively). AF40431 is shown as a ball-and-stick representation in orange. The depth of the hydrophobic pocket is determined by Ser272, Phe281, Ile294 and Ile320. (b) Superposition of AF40431 and NTS in the structure of the NTSR1–NTS complex (PDB entry 4grv ) represented as a cartoon in green (White et al., 2012

). The 4-methylumbelliferone moiety of AF40431 clashes with Phe128 in TM2 and Tyr351 in TM7. (c) Combined excitation and emission fluorescence spectrum for AF40431 (full lines) and the sortilin–AF40431 complex (dotted lines).

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

Volume 70| Part 2| January 2014| Pages 451-460

doi:10.1107/S1399004713030149

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