7UXX
Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain
This is a non-PDB format compatible entry.
Summary for 7UXX
Entry DOI | 10.2210/pdb7uxx/pdb |
Descriptor | Nucleoprotein, GLYCEROL, ACETATE ION, ... (4 entities in total) |
Functional Keywords | sars-cov-2, ctd, nucleocapsid, rna binding protein, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 6 |
Total formula weight | 77215.67 |
Authors | Bezerra, E.H.S.,Tonoli, C.C.C.,Soprano, A.S.,Franchini, K.G.,Trivella, D.B.B.,Benedetti, C.E. (deposition date: 2022-05-06, release date: 2022-06-22, Last modification date: 2023-10-18) |
Primary citation | Mercaldi, G.F.,Bezerra, E.H.S.,Batista, F.A.H.,Tonoli, C.C.C.,Soprano, A.S.,Shimizu, J.F.,Nagai, A.,da Silva, J.C.,Filho, H.V.R.,do Nascimento Faria, J.,da Cunha, M.G.,Zeri, A.C.M.,Nascimento, A.F.Z.,Proenca-Modena, J.L.,Bajgelman, M.C.,Rocco, S.A.,Lopes-de-Oliveira, P.S.,Cordeiro, A.T.,Bruder, M.,Marques, R.E.,Sforca, M.L.,Franchini, K.G.,Benedetti, C.E.,Figueira, A.C.M.,Trivella, D.B.B. Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12:18500-18500, 2022 Cited by PubMed Abstract: The nucleocapsid (N) protein plays critical roles in coronavirus genome transcription and packaging, representing a key target for the development of novel antivirals, and for which structural information on ligand binding is scarce. We used a novel fluorescence polarization assay to identify small molecules that disrupt the binding of the N protein to a target RNA derived from the SARS-CoV-2 genome packaging signal. Several phenolic compounds, including L-chicoric acid (CA), were identified as high-affinity N-protein ligands. The binding of CA to the N protein was confirmed by isothermal titration calorimetry, H-STD and N-HSQC NMR, and by the crystal structure of CA bound to the N protein C-terminal domain (CTD), further revealing a new modulatory site in the SARS-CoV-2 N protein. Moreover, CA reduced SARS-CoV-2 replication in cell cultures. These data thus open venues for the development of new antivirals targeting the N protein, an essential and yet underexplored coronavirus target. PubMed: 36323732DOI: 10.1038/s41598-022-22576-4 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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