5HI3

Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists

Summary for 5HI3

• Entry DOI: 10.2210/pdb5hi3/pdb
• Related: 5HHV 5HHX 5HI4 5HI5
• Descriptor: Interleukin-17A, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ... (6 entities in total)
• Functional Keywords: il-17a, psoriasis, md simulation, sulfonyl fluoride, inhibitor, macrocycle, immune system-inhibitor complex, immune system/inhibitor
• Biological source: Homo sapiens (Human); More
• Cellular location: Secreted: Q16552
• Total number of polymer chains: 7
• Total formula weight: 128866.58

Authors

Liu, S. (deposition date: 2016-01-11, release date: 2016-08-31, Last modification date: 2024-10-23)

Primary citation

Liu, S.,Dakin, L.A.,Xing, L.,Withka, J.M.,Sahasrabudhe, P.V.,Li, W.,Banker, M.E.,Balbo, P.,Shanker, S.,Chrunyk, B.A.,Guo, Z.,Chen, J.M.,Young, J.A.,Bai, G.,Starr, J.T.,Wright, S.W.,Bussenius, J.,Tan, S.,Gopalsamy, A.,Lefker, B.A.,Vincent, F.,Jones, L.H.,Xu, H.,Hoth, L.R.,Geoghegan, K.F.,Qiu, X.,Bunnage, M.E.,Thorarensen, A.
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6:30859-30859, 2016

PubMed Abstract: Interleukin-17A (IL-17A) is a principal driver of multiple inflammatory and immune disorders. Antibodies that neutralize IL-17A or its receptor (IL-17RA) deliver efficacy in autoimmune diseases, but no small-molecule IL-17A antagonists have yet progressed into clinical trials. Investigation of a series of linear peptide ligands to IL-17A and characterization of their binding site has enabled the design of novel macrocyclic ligands that are themselves potent IL-17A antagonists.

PubMed: 27527709
DOI: 10.1038/srep30859

Experimental method

X-RAY DIFFRACTION (2.15 Å)