4WM7
Crystal Structure of Human Enterovirus D68 in Complex with Pleconaril
Summary for 4WM7
| Entry DOI | 10.2210/pdb4wm7/pdb |
| Related | 4WM8 |
| Descriptor | VP1, VP2, VP3, ... (6 entities in total) |
| Functional Keywords | enterovirus, capsid, beta jelly roll, virus, capsid-binding inhibitor |
| Biological source | Enterovirus D68 More |
| Total number of polymer chains | 4 |
| Total formula weight | 95411.69 |
| Authors | Liu, Y.,Sheng, J.,Fokine, A.,Meng, G.,Long, F.,Kuhn, R.J.,Rossmann, M.G. (deposition date: 2014-10-08, release date: 2015-01-14, Last modification date: 2023-12-27) |
| Primary citation | Liu, Y.,Sheng, J.,Fokine, A.,Meng, G.,Shin, W.H.,Long, F.,Kuhn, R.J.,Kihara, D.,Rossmann, M.G. Virus structure. Structure and inhibition of EV-D68, a virus that causes respiratory illness in children. Science, 347:71-74, 2015 Cited by PubMed Abstract: Enterovirus D68 (EV-D68) is a member of Picornaviridae and is a causative agent of recent outbreaks of respiratory illness in children in the United States. We report here the crystal structures of EV-D68 and its complex with pleconaril, a capsid-binding compound that had been developed as an anti-rhinovirus drug. The hydrophobic drug-binding pocket in viral protein 1 contained density that is consistent with a fatty acid of about 10 carbon atoms. This density could be displaced by pleconaril. We also showed that pleconaril inhibits EV-D68 at a half-maximal effective concentration of 430 nanomolar and might, therefore, be a possible drug candidate to alleviate EV-D68 outbreaks. PubMed: 25554786DOI: 10.1126/science.1261962 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.32 Å) |
Structure validation
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