4O4R
Murine Norovirus RdRp in complex with PPNDS
Summary for 4O4R
| Entry DOI | 10.2210/pdb4o4r/pdb |
| Descriptor | RNA-dependent-RNA-polymerase, 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, SULFATE ION, ... (4 entities in total) |
| Functional Keywords | rna-dependent-rna-polymerase, rna binding, viral protein-replication inhibitor complex, viral protein/replication inhibitor |
| Biological source | Murine norovirus 1 |
| Total number of polymer chains | 3 |
| Total formula weight | 179905.50 |
| Authors | Croci, R.,Tarantino, D.,Milani, M.,Pezzullo, M.,Bolognesi, M.,Mastrangelo, E. (deposition date: 2013-12-19, release date: 2014-11-05, Last modification date: 2024-10-30) |
| Primary citation | Croci, R.,Tarantino, D.,Milani, M.,Pezzullo, M.,Rohayem, J.,Bolognesi, M.,Mastrangelo, E. PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases. Febs Lett., 588:1720-1725, 2014 Cited by PubMed Abstract: Norovirus (NV) is a major cause of gastroenteritis worldwide. Antivirals against such important pathogens are on demand. Among the viral proteins that orchestrate viral replication, RNA-dependent-RNA-polymerase (RdRp) is a promising drug development target. From an in silico-docking search focused on the RdRp active site, we selected the compound PPNDS, which showed low micromolar IC50vs. murine NV-RdRp in vitro. We report the crystal structure of the murine NV-RdRp/PPNDS complex showing that two molecules of the inhibitor bind in antiparallel stacking interaction, properly oriented to block exit of the newly synthesized RNA. Such inhibitor-binding mode mimics two stacked nucleotide-bases of the RdRp/ssRNA complex. PubMed: 24657439DOI: 10.1016/j.febslet.2014.03.021 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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