4N7E

Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469

Summary for 4N7E

• Entry DOI: 10.2210/pdb4n7e/pdb
• Related: 3F6K 4MSL
• Descriptor: Sortilin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
• Functional Keywords: sortilin, small molecule ligand, af38469, af40431, prongf, alzheimer's disease, beta-propeller asp-box repeat, vps10p domain, 10cc domain, receptor sorting, membrane, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 79276.25

Authors

Andersen, J.L.,Strandbygaard, D.,Thirup, S. (deposition date: 2013-10-15, release date: 2014-01-22, Last modification date: 2024-10-30)

Primary citation

Schrder, T.J.,Christensen, S.,Lindberg, S.,Langgard, M.,David, L.,Maltas, P.J.,Eskildsen, J.,Jacobsen, J.,Tagmose, L.,Simonsen, K.B.,Biilmann Rnn, L.C.,de Jong, I.E.,Malik, I.J.,Karlsson, J.J.,Bundgaard, C.,Egebjerg, J.,Stavenhagen, J.B.,Strandbygard, D.,Thirup, S.,Andersen, J.L.,Uppalanchi, S.,Pervaram, S.,Kasturi, S.P.,Eradi, P.,Sakumudi, D.R.,Watson, S.P.
The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24:177-180, 2014

PubMed Abstract: The identification of the novel, selective, orally bioavailable Sortilin inhibitor AF38469 is described. Structure-activity relationships and syntheses are reported, along with an X-ray crystal structure of the sortilin-AF38469 protein-inhibitor complex.

PubMed: 24355129
DOI: 10.1016/j.bmcl.2013.11.046

Experimental method

X-RAY DIFFRACTION (2.7 Å)